(4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide

C18H25ClN4O2 — CID 162520917

IUPAC(4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCC1(C)CC(C(NC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C18H25ClN4O2/c1-18(2)9-12(7-8-21-18)15(11-3-5-13(19)6-4-11)23-16(24)14-10-20-17(25)22-14/h3-6,12,14-15,21H,7-10H2,1-2H3,(H,23,24)(H2,20,22,25)/t12?,14-,15?/m0/s1
InChIKeySQPNBLXGKFWPQX-BLZCZZARSA-N
MW364.88 g/mol
LogP1.96
Rot. Bonds4

About (4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520917) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is (4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520917
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name(4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCC1(C)CC(C(NC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C18H25ClN4O2/c1-18(2)9-12(7-8-21-18)15(11-3-5-13(19)6-4-11)23-16(24)14-10-20-17(25)22-14/h3-6,12,14-15,21H,7-10H2,1-2H3,(H,23,24)(H2,20,22,25)/t12?,14-,15?/m0/s1
InChIKeySQPNBLXGKFWPQX-BLZCZZARSA-N
XLogP1.96
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
(4R)-N-[(R)-cyclopentyl(phenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97081118
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 10194383
(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97079177
N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509760
(5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 167528065
(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2,2-difluorospiro[3.3]heptan-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 166908040
(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
CID 95342739
N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
CID 119271202
(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520836
(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide
CID 97070023
(4S)-N-[(S)-(4-chlorophenyl)-pyrazolo[1,5-a]pyridin-5-ylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 162520803

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520917) is (4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide is CC1(C)CC(C(NC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of (4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is SQPNBLXGKFWPQX-BLZCZZARSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-18(2)9-12(7-8-21-18)15(11-3-5-13(19)6-4-11)23-16(24)14-10-20-17(25)22-14/h3-6,12,14-15,21H,7-10H2,1-2H3,(H,23,24)(H2,20,22,25)/t12?,14-,15?/m0/s1.
What are the key properties of (4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 364.88 g/mol, XLogP of 1.96, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).