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

C23H29N3O — CID 95342259

IUPAC(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H29N3O/c27-23(26-15-12-22(18-26)19-8-2-1-3-9-19)24-16-20-10-4-5-11-21(20)17-25-13-6-7-14-25/h1-5,8-11,22H,6-7,12-18H2,(H,24,27)/t22-/m1/s1
InChIKeyMQEHLGCZIYVZQT-JOCHJYFZSA-N
MW363.50 g/mol
LogP3.98
Rot. Bonds5

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

(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 95342259) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID95342259
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H29N3O/c27-23(26-15-12-22(18-26)19-8-2-1-3-9-19)24-16-20-10-4-5-11-21(20)17-25-13-6-7-14-25/h1-5,8-11,22H,6-7,12-18H2,(H,24,27)/t22-/m1/s1
InChIKeyMQEHLGCZIYVZQT-JOCHJYFZSA-N
XLogP3.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51291268
4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55769235
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 66166344
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 107839602
3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 56822123
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
CID 20901384
(3S)-1,1-dioxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiolane-3-carboxamide
CID 95254525
1-cyclohexyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 94453343
3-methyl-4-[(3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 81066848

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 95342259) is (3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccccc1CN1CCCC1)N1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of (3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is MQEHLGCZIYVZQT-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(26-15-12-22(18-26)19-8-2-1-3-9-19)24-16-20-10-4-5-11-21(20)17-25-13-6-7-14-25/h1-5,8-11,22H,6-7,12-18H2,(H,24,27)/t22-/m1/s1.
What are the key properties of (3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95342259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).