1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride

C16H23ClN2O3 — CID 119906793

IUPAC1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
SMILESCC(C(=O)NCc1ccccc1)N1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-12(18-9-7-14(8-10-18)16(20)21)15(19)17-11-13-5-3-2-4-6-13;/h2-6,12,14H,7-11H2,1H3,(H,17,19)(H,20,21);1H
InChIKeyNIAKFGOSXAHDFK-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.91
Rot. Bonds5

About 1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride

1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 119906793) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID119906793
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
SMILESCC(C(=O)NCc1ccccc1)N1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-12(18-9-7-14(8-10-18)16(20)21)15(19)17-11-13-5-3-2-4-6-13;/h2-6,12,14H,7-11H2,1H3,(H,17,19)(H,20,21);1H
InChIKeyNIAKFGOSXAHDFK-UHFFFAOYSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907889
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
1-[1-(benzylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444393
(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
CID 97064355
N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 46631267
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
CID 9443521
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
N-benzyl-1-[(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 27106897
N-benzyl-1-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25479597
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride (CID 119906793) is 1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride is CC(C(=O)NCc1ccccc1)N1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is NIAKFGOSXAHDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-12(18-9-7-14(8-10-18)16(20)21)15(19)17-11-13-5-3-2-4-6-13;/h2-6,12,14H,7-11H2,1H3,(H,17,19)(H,20,21);1H.
What are the key properties of 1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride?
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 119906793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).