(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

C17H25N3O — CID 124685812

IUPAC(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCNC1
InChIInChI=1S/C17H25N3O/c1-19(17(21)14-8-9-18-12-14)13-15-6-2-3-7-16(15)20-10-4-5-11-20/h2-3,6-7,14,18H,4-5,8-13H2,1H3/t14-/m0/s1
InChIKeyYXOOHVNVFQSKOM-AWEZNQCLSA-N
MW287.41 g/mol
LogP1.85
Rot. Bonds4

About (3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 124685812) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID124685812
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCNC1
InChIInChI=1S/C17H25N3O/c1-19(17(21)14-8-9-18-12-14)13-15-6-2-3-7-16(15)20-10-4-5-11-20/h2-3,6-7,14,18H,4-5,8-13H2,1H3/t14-/m0/s1
InChIKeyYXOOHVNVFQSKOM-AWEZNQCLSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 124685793
N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 115159561
cis-(1R,3S)-3-amino-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
CID 124685790
N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005308
N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119723179
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119836304
4-N-methyl-1-N-phenyl-4-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 9361588
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119836475
(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938273
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51233290

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 124685812) is (3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide is CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is YXOOHVNVFQSKOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(17(21)14-8-9-18-12-14)13-15-6-2-3-7-16(15)20-10-4-5-11-20/h2-3,6-7,14,18H,4-5,8-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124685812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).