[3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone

C22H30N2O3 — CID 138381659

IUPAC[3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)N2CCCC(C3(O)CC3)C2)CC1
InChIInChI=1S/C22H30N2O3/c1-16-5-2-3-7-19(16)21(26)23-13-8-17(9-14-23)20(25)24-12-4-6-18(15-24)22(27)10-11-22/h2-3,5,7,17-18,27H,4,6,8-15H2,1H3
InChIKeyTVPGOWDETMAMEG-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.61
Rot. Bonds3

About [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone

[3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone (PubChem CID 138381659) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
PubChem CID138381659
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name[3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)N2CCCC(C3(O)CC3)C2)CC1
InChIInChI=1S/C22H30N2O3/c1-16-5-2-3-7-19(16)21(26)23-13-8-17(9-14-23)20(25)24-12-4-6-18(15-24)22(27)10-11-22/h2-3,5,7,17-18,27H,4,6,8-15H2,1H3
InChIKeyTVPGOWDETMAMEG-UHFFFAOYSA-N
XLogP2.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 138382236
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
CID 40880014
2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
CID 138381348
[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
CID 137344390
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 138379726
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
azepan-1-yl-[1-[2-(2,3-dimethylanilino)benzoyl]piperidin-4-yl]methanone
CID 31611501

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone (CID 138381659) is [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone is Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCC(C3(O)CC3)C2)CC1.
What is the InChIKey of [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is TVPGOWDETMAMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-5-2-3-7-19(16)21(26)23-13-8-17(9-14-23)20(25)24-12-4-6-18(15-24)22(27)10-11-22/h2-3,5,7,17-18,27H,4,6,8-15H2,1H3.
What are the key properties of [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
[3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 370.49 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxycyclopropyl)piperidin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 138381659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).