N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C17H25N3O — CID 119836564

IUPACN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)C1CCNC1
InChIInChI=1S/C17H25N3O/c21-17(15-7-8-18-11-15)19-12-14-5-1-2-6-16(14)13-20-9-3-4-10-20/h1-2,5-6,15,18H,3-4,7-13H2,(H,19,21)
InChIKeyYGVADOFJOLQKQH-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.51
Rot. Bonds5

About N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119836564) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119836564
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)C1CCNC1
InChIInChI=1S/C17H25N3O/c21-17(15-7-8-18-11-15)19-12-14-5-1-2-6-16(14)13-20-9-3-4-10-20/h1-2,5-6,15,18H,3-4,7-13H2,(H,19,21)
InChIKeyYGVADOFJOLQKQH-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119895713
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119869679
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848767
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846811
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 119836564) is N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccccc1CN1CCCC1)C1CCNC1.
What is the InChIKey of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is YGVADOFJOLQKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(15-7-8-18-11-15)19-12-14-5-1-2-6-16(14)13-20-9-3-4-10-20/h1-2,5-6,15,18H,3-4,7-13H2,(H,19,21).
What are the key properties of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119836564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).