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

C19H29N3O — CID 119867361

IUPACN-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(CN2CCCCCC2)c1)C1CCCN1
InChIInChI=1S/C19H29N3O/c23-19(18-9-6-10-20-18)21-14-16-7-5-8-17(13-16)15-22-11-3-1-2-4-12-22/h5,7-8,13,18,20H,1-4,6,9-12,14-15H2,(H,21,23)
InChIKeyQXYVUHYGFLQGOK-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.43
Rot. Bonds5

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

N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119867361) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119867361
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(CN2CCCCCC2)c1)C1CCCN1
InChIInChI=1S/C19H29N3O/c23-19(18-9-6-10-20-18)21-14-16-7-5-8-17(13-16)15-22-11-3-1-2-4-12-22/h5,7-8,13,18,20H,1-4,6,9-12,14-15H2,(H,21,23)
InChIKeyQXYVUHYGFLQGOK-UHFFFAOYSA-N
XLogP2.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide 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)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100647209
(2S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836228
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618
(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081400
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
CID 119864239
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100650872
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320

Frequently Asked Questions

What is the IUPAC name of N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 119867361) is N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccc(CN2CCCCCC2)c1)C1CCCN1.
What is the InChIKey of N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QXYVUHYGFLQGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(18-9-6-10-20-18)21-14-16-7-5-8-17(13-16)15-22-11-3-1-2-4-12-22/h5,7-8,13,18,20H,1-4,6,9-12,14-15H2,(H,21,23).
What are the key properties of N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119867361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).