(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

C18H26N4O2 — CID 97092356

IUPAC(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESC[C@@H]1CCCCN1Cc1ccccc1CNC(=O)[C@@H]1CNC(=O)N1
InChIInChI=1S/C18H26N4O2/c1-13-6-4-5-9-22(13)12-15-8-3-2-7-14(15)10-19-17(23)16-11-20-18(24)21-16/h2-3,7-8,13,16H,4-6,9-12H2,1H3,(H,19,23)(H2,20,21,24)/t13-,16+/m1/s1
InChIKeyYGLPSMAFZJBXKI-CJNGLKHVSA-N
MW330.43 g/mol
LogP1.36
Rot. Bonds5

About (4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97092356) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97092356
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESC[C@@H]1CCCCN1Cc1ccccc1CNC(=O)[C@@H]1CNC(=O)N1
InChIInChI=1S/C18H26N4O2/c1-13-6-4-5-9-22(13)12-15-8-3-2-7-14(15)10-19-17(23)16-11-20-18(24)21-16/h2-3,7-8,13,16H,4-6,9-12H2,1H3,(H,19,23)(H2,20,21,24)/t13-,16+/m1/s1
InChIKeyYGLPSMAFZJBXKI-CJNGLKHVSA-N
XLogP1.36
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877885
(4S)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092560
1-(2,2-dimethylpropanoyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46470618
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 86990869
2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845340
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46470691
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983604
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylprop-2-enamide
CID 103598117

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 97092356) is (4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)[C@@H]1CNC(=O)N1.
What is the InChIKey of (4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is YGLPSMAFZJBXKI-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-6-4-5-9-22(13)12-15-8-3-2-7-14(15)10-19-17(23)16-11-20-18(24)21-16/h2-3,7-8,13,16H,4-6,9-12H2,1H3,(H,19,23)(H2,20,21,24)/t13-,16+/m1/s1.
What are the key properties of (4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97092356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).