1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride

C19H28ClN3O2 — CID 120577067

IUPAC1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CCCN(C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-14-17(10-5-11-20-14)21-18(23)16-9-6-12-22(13-16)19(24)15-7-3-2-4-8-15;/h2-4,7-8,14,16-17,20H,5-6,9-13H2,1H3,(H,21,23);1H
InChIKeyAUSFIEVCDGFHDN-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.22
Rot. Bonds3

About 1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride

1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120577067) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID120577067
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CCCN(C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-14-17(10-5-11-20-14)21-18(23)16-9-6-12-22(13-16)19(24)15-7-3-2-4-8-15;/h2-4,7-8,14,16-17,20H,5-6,9-13H2,1H3,(H,21,23);1H
InChIKeyAUSFIEVCDGFHDN-UHFFFAOYSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 120575634
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide
CID 119612151
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide
CID 120576328
N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 46170994
1-methyl-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120576315
3-methyl-N-(2-methylpiperidin-3-yl)piperidine-1-carboxamide
CID 79159344
1-benzoyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110000883

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride (CID 120577067) is 1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride is CC1NCCCC1NC(=O)C1CCCN(C(=O)c2ccccc2)C1.Cl.
What is the InChIKey of 1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is AUSFIEVCDGFHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-14-17(10-5-11-20-14)21-18(23)16-9-6-12-22(13-16)19(24)15-7-3-2-4-8-15;/h2-4,7-8,14,16-17,20H,5-6,9-13H2,1H3,(H,21,23);1H.
What are the key properties of 1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride?
1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120577067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).