methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene

C32H44N6O2 — CID 143188932

IUPACmethane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene
SMILESC.C=CC.Cc1cc(C(=O)N2Cc3cnn(C)c3NC3=CC=CC=CC32)ccc1CNC(=O)CC1CCNCC1
InChIInChI=1S/C28H34N6O2.C3H6.CH4/c1-19-14-21(8-9-22(19)16-30-26(35)15-20-10-12-29-13-11-20)28(36)34-18-23-17-31-33(2)27(23)32-24-6-4-3-5-7-25(24)34;1-3-2;/h3-9,14,17,20,25,29,32H,10-13,15-16,18H2,1-2H3,(H,30,35);3H,1H2,2H3;1H4
InChIKeyDBAUSXIVHYDOAB-UHFFFAOYSA-N
MW544.74 g/mol
LogP5.01
Rot. Bonds5

About methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene

methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene (PubChem CID 143188932) has the molecular formula C32H44N6O2 and a molecular weight of 544.74 g/mol. Its IUPAC name is methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene.

Molecular Properties

Compound Namemethane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene
PubChem CID143188932
Molecular FormulaC32H44N6O2
Molecular Weight544.74 g/mol
Exact Mass544.35
IUPAC Namemethane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene
SMILESC.C=CC.Cc1cc(C(=O)N2Cc3cnn(C)c3NC3=CC=CC=CC32)ccc1CNC(=O)CC1CCNCC1
InChIInChI=1S/C28H34N6O2.C3H6.CH4/c1-19-14-21(8-9-22(19)16-30-26(35)15-20-10-12-29-13-11-20)28(36)34-18-23-17-31-33(2)27(23)32-24-6-4-3-5-7-25(24)34;1-3-2;/h3-9,14,17,20,25,29,32H,10-13,15-16,18H2,1-2H3,(H,30,35);3H,1H2,2H3;1H4
InChIKeyDBAUSXIVHYDOAB-UHFFFAOYSA-N
XLogP5.01
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene with MolForge

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Related Compounds

N-[[4-[(7E)-7-[(2E)-2-chloropenta-2,4-dienylidene]-1-methyl-6,8-dihydro-4H-pyrazolo[5,4-e][1,4]diazepine-5-carbonyl]-3-methylphenyl]methyl]-3-piperidin-4-ylpropanamide;ethane
CID 143188964
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 106047419
2-[4-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methylcarbamoyl]piperazin-1-yl]ethyl cyclopropanecarboxylate
CID 135474476
2-(4,4-dimethyl-1,4-diazepan-4-ium-1-carbothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide iodide
CID 135546556
CID 156588583
CID 156588583
N-[[4-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)-3-methylphenyl]methyl]-3-(1-ethylsulfonylpiperidin-4-yl)propanamide;N-[[4-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)-3-methylphenyl]methyl]-3-piperidin-4-ylpropanamide;hydrochloride
CID 161170714
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
N-[(2,4-dimethoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 63362840
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
N-[[2-chloro-4-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]propanamide
CID 135736032
2-[4-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methylcarbamoyl]piperazin-1-yl]ethyl benzoate
CID 135475402
4-(cyclopropylmethyl)-N-[[2-fluoro-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]piperazine-1-carboxamide
CID 135475348

Frequently Asked Questions

What is the IUPAC name of methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene?
The IUPAC name of methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene (CID 143188932) is methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene.
What is the SMILES notation for methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene?
The canonical SMILES for methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene is C.C=CC.Cc1cc(C(=O)N2Cc3cnn(C)c3NC3=CC=CC=CC32)ccc1CNC(=O)CC1CCNCC1.
What is the InChIKey of methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene?
The InChIKey is DBAUSXIVHYDOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2.C3H6.CH4/c1-19-14-21(8-9-22(19)16-30-26(35)15-20-10-12-29-13-11-20)28(36)34-18-23-17-31-33(2)27(23)32-24-6-4-3-5-7-25(24)34;1-3-2;/h3-9,14,17,20,25,29,32H,10-13,15-16,18H2,1-2H3,(H,30,35);3H,1H2,2H3;1H4.
What are the key properties of methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene?
methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene has a molecular weight of 544.74 g/mol, XLogP of 5.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[[2-methyl-4-(4-methyl-2,4,5,9-tetrazatricyclo[8.5.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene-9-carbonyl)phenyl]methyl]-2-piperidin-4-ylacetamide;prop-1-ene is sourced from PubChem (CID 143188932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).