(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C17H24ClN3O2 — CID 120619530

IUPAC(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCN1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-11-10-13(8-9-18-11)17(22)20-15-6-4-14(5-7-15)19-16(21)12-2-3-12;/h4-7,11-13,18H,2-3,8-10H2,1H3,(H,19,21)(H,20,22);1H/t11-,13-;/m0./s1
InChIKeyDVLZKUYPMRFGDU-JZKFLRDJSA-N
MW337.85 g/mol
LogP2.78
Rot. Bonds4

About (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120619530) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120619530
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCN1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-11-10-13(8-9-18-11)17(22)20-15-6-4-14(5-7-15)19-16(21)12-2-3-12;/h4-7,11-13,18H,2-3,8-10H2,1H3,(H,19,21)(H,20,22);1H/t11-,13-;/m0./s1
InChIKeyDVLZKUYPMRFGDU-JZKFLRDJSA-N
XLogP2.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120619530) is (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DVLZKUYPMRFGDU-JZKFLRDJSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-11-10-13(8-9-18-11)17(22)20-15-6-4-14(5-7-15)19-16(21)12-2-3-12;/h4-7,11-13,18H,2-3,8-10H2,1H3,(H,19,21)(H,20,22);1H/t11-,13-;/m0./s1.
What are the key properties of (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120619530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).