1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride

C22H27ClN2O3 — CID 119908286

IUPAC1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(CCN1CCC(C(=O)O)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O3.ClH/c25-20(13-16-24-14-11-19(12-15-24)22(26)27)23-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19,21H,11-16H2,(H,23,25)(H,26,27);1H
InChIKeyXLUGBTLSLXSNSI-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.50
Rot. Bonds7

About 1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride

1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 119908286) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID119908286
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(CCN1CCC(C(=O)O)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O3.ClH/c25-20(13-16-24-14-11-19(12-15-24)22(26)27)23-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19,21H,11-16H2,(H,23,25)(H,26,27);1H
InChIKeyXLUGBTLSLXSNSI-UHFFFAOYSA-N
XLogP3.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526502
3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 110882838
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427342
N-[(1R)-2-hydroxy-1-phenylethyl]-3-pyrrolidin-1-ylpropanamide
CID 103944653
3-[3-(azepan-1-yl)propanoylamino]-3-phenylpropanoic acid
CID 53215587
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872
N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 86895496
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 119904107

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride (CID 119908286) is 1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(CCN1CCC(C(=O)O)CC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is XLUGBTLSLXSNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3.ClH/c25-20(13-16-24-14-11-19(12-15-24)22(26)27)23-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19,21H,11-16H2,(H,23,25)(H,26,27);1H.
What are the key properties of 1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride?
1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 402.92 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 119908286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).