(2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide

C18H24N4O3 — CID 124829021

IUPAC(2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)[C@H]1C
InChIInChI=1S/C18H24N4O3/c1-11-4-3-9-22(12(11)2)18(25)19-14-7-5-13(6-8-14)10-15-16(23)21-17(24)20-15/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,19,25)(H2,20,21,23,24)/t11-,12+,15+/m1/s1
InChIKeyZAYJROHOBKWUTO-XUJVJEKNSA-N
MW344.42 g/mol
LogP2.09
Rot. Bonds3

About (2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide

(2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide (PubChem CID 124829021) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide
PubChem CID124829021
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)[C@H]1C
InChIInChI=1S/C18H24N4O3/c1-11-4-3-9-22(12(11)2)18(25)19-14-7-5-13(6-8-14)10-15-16(23)21-17(24)20-15/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,19,25)(H2,20,21,23,24)/t11-,12+,15+/m1/s1
InChIKeyZAYJROHOBKWUTO-XUJVJEKNSA-N
XLogP2.09
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
(2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 129397971
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934
2-chloro-5-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123451
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 71889554
1-[(4-bromophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071248
2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 81498187
4-chloro-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123101

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide (CID 124829021) is (2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide is C[C@@H]1CCCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)[C@H]1C.
What is the InChIKey of (2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The InChIKey is ZAYJROHOBKWUTO-XUJVJEKNSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-4-3-9-22(12(11)2)18(25)19-14-7-5-13(6-8-14)10-15-16(23)21-17(24)20-15/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,19,25)(H2,20,21,23,24)/t11-,12+,15+/m1/s1.
What are the key properties of (2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide?
(2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 124829021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).