N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide

C21H36N2O4 — CID 157341024

IUPACN-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide
SMILESCC(=O)C(C)CCCCNC(=O)C1CCN(C(=O)CCC(C)C(C)=O)CC1
InChIInChI=1S/C21H36N2O4/c1-15(17(3)24)7-5-6-12-22-21(27)19-10-13-23(14-11-19)20(26)9-8-16(2)18(4)25/h15-16,19H,5-14H2,1-4H3,(H,22,27)
InChIKeyMETJGGDGMVDVDW-UHFFFAOYSA-N
MW380.53 g/mol
LogP2.74
Rot. Bonds11

About N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide

N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide (PubChem CID 157341024) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide
PubChem CID157341024
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC NameN-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide
SMILESCC(=O)C(C)CCCCNC(=O)C1CCN(C(=O)CCC(C)C(C)=O)CC1
InChIInChI=1S/C21H36N2O4/c1-15(17(3)24)7-5-6-12-22-21(27)19-10-13-23(14-11-19)20(26)9-8-16(2)18(4)25/h15-16,19H,5-14H2,1-4H3,(H,22,27)
InChIKeyMETJGGDGMVDVDW-UHFFFAOYSA-N
XLogP2.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
CID 60963510
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980497
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
1-[3-(ethylamino)propanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62835714
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092
methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
CID 43404532
1-acetyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110741930
N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-6-oxohexyl]piperidine-4-carboxamide;hydrochloride
CID 119316230

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide (CID 157341024) is N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide is CC(=O)C(C)CCCCNC(=O)C1CCN(C(=O)CCC(C)C(C)=O)CC1.
What is the InChIKey of N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide?
The InChIKey is METJGGDGMVDVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-15(17(3)24)7-5-6-12-22-21(27)19-10-13-23(14-11-19)20(26)9-8-16(2)18(4)25/h15-16,19H,5-14H2,1-4H3,(H,22,27).
What are the key properties of N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide?
N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 2.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-oxoheptyl)-1-(4-methyl-5-oxohexanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 157341024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).