N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide

C19H27N3O2 — CID 119766246

IUPACN-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
SMILESNC1CCC(C(=O)N2CCCCC2CNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c20-16-10-9-15(12-16)19(24)22-11-5-4-8-17(22)13-21-18(23)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,20H2,(H,21,23)
InChIKeyQVKXLNGOILVAJQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.92
Rot. Bonds4

About N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide

N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide (PubChem CID 119766246) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
PubChem CID119766246
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide
SMILESNC1CCC(C(=O)N2CCCCC2CNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c20-16-10-9-15(12-16)19(24)22-11-5-4-8-17(22)13-21-18(23)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,20H2,(H,21,23)
InChIKeyQVKXLNGOILVAJQ-UHFFFAOYSA-N
XLogP1.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-2-yl]methyl]benzamide
CID 120791374
5-[2-(benzamidomethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690266
N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514
N-[[(2S)-1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]piperidin-2-yl]methyl]benzamide
CID 124742100
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119951018
[1-(3-aminocyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 119765929
[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 102602951
2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
CID 66010040
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide
CID 54152625
(3-aminocyclopentyl)-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 119771492
(3-aminocyclopentyl)-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 119797212

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide (CID 119766246) is N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide is NC1CCC(C(=O)N2CCCCC2CNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide?
The InChIKey is QVKXLNGOILVAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-16-10-9-15(12-16)19(24)22-11-5-4-8-17(22)13-21-18(23)14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,20H2,(H,21,23).
What are the key properties of N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide?
N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide has a molecular weight of 329.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-aminocyclopentanecarbonyl)piperidin-2-yl]methyl]benzamide is sourced from PubChem (CID 119766246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).