(2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C18H27Cl2N3O2 — CID 120635297

IUPAC(2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(Cl)cc1N1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-12-9-13(5-7-20-12)18(23)21-15-6-8-22(11-15)16-10-14(19)3-4-17(16)24-2;/h3-4,10,12-13,15,20H,5-9,11H2,1-2H3,(H,21,23);1H/t12-,13-,15?;/m0./s1
InChIKeyDZUACSAEOQVSLL-BDDIODHDSA-N
MW388.34 g/mol
LogP2.85
Rot. Bonds4

About (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120635297) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120635297
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name(2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(Cl)cc1N1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-12-9-13(5-7-20-12)18(23)21-15-6-8-22(11-15)16-10-14(19)3-4-17(16)24-2;/h3-4,10,12-13,15,20H,5-9,11H2,1-2H3,(H,21,23);1H/t12-,13-,15?;/m0./s1
InChIKeyDZUACSAEOQVSLL-BDDIODHDSA-N
XLogP2.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-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

2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119873204
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119873218
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119873198
trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 125147471
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922757
(2R,6S)-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 99819959
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119873197
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120645966
4-[[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133774
3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 119873215
(2S,4S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631803
2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
CID 120596351

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120635297) is (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1ccc(Cl)cc1N1CCC(NC(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is DZUACSAEOQVSLL-BDDIODHDSA-N. The full InChI is InChI=1S/C18H26ClN3O2.ClH/c1-12-9-13(5-7-20-12)18(23)21-15-6-8-22(11-15)16-10-14(19)3-4-17(16)24-2;/h3-4,10,12-13,15,20H,5-9,11H2,1-2H3,(H,21,23);1H/t12-,13-,15?;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120635297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).