(2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride

C18H29Cl2N3O — CID 119900377

IUPAC(2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCC(NC(=O)[C@H]1CCCCN1)c1cccc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-14(20-18(22)17-9-2-3-10-19-17)15-7-6-8-16(13-15)21-11-4-5-12-21;;/h6-8,13-14,17,19H,2-5,9-12H2,1H3,(H,20,22);2*1H/t14?,17-;;/m1../s1
InChIKeyBYLRIDXJPRTOBQ-KEQAEWIKSA-N
MW374.36 g/mol
LogP3.45
Rot. Bonds4

About (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119900377) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119900377
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC Name(2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCC(NC(=O)[C@H]1CCCCN1)c1cccc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-14(20-18(22)17-9-2-3-10-19-17)15-7-6-8-16(13-15)21-11-4-5-12-21;;/h6-8,13-14,17,19H,2-5,9-12H2,1H3,(H,20,22);2*1H/t14?,17-;;/m1../s1
InChIKeyBYLRIDXJPRTOBQ-KEQAEWIKSA-N
XLogP3.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride 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

(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-(3-bromophenyl)ethyl]azepane-2-carboxamide
CID 81375889
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119900435

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride (CID 119900377) is (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride is CC(NC(=O)[C@H]1CCCCN1)c1cccc(N2CCCC2)c1.Cl.Cl.
What is the InChIKey of (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is BYLRIDXJPRTOBQ-KEQAEWIKSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c1-14(20-18(22)17-9-2-3-10-19-17)15-7-6-8-16(13-15)21-11-4-5-12-21;;/h6-8,13-14,17,19H,2-5,9-12H2,1H3,(H,20,22);2*1H/t14?,17-;;/m1../s1.
What are the key properties of (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119900377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).