N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide

C25H31ClN4O4 — CID 53098533

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C3=O)CC2)cc1Cl
InChIInChI=1S/C25H31ClN4O4/c1-17-4-6-18(7-5-17)16-29-12-13-30(25(29)32)19-8-10-28(11-9-19)24(31)27-21-14-20(26)22(33-2)15-23(21)34-3/h4-7,14-15,19H,8-13,16H2,1-3H3,(H,27,31)
InChIKeyQKFIRCKSJSDKMR-UHFFFAOYSA-N
MW487.00 g/mol
LogP4.60
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (PubChem CID 53098533) has the molecular formula C25H31ClN4O4 and a molecular weight of 487.00 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
PubChem CID53098533
Molecular FormulaC25H31ClN4O4
Molecular Weight487.00 g/mol
Exact Mass486.20
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C3=O)CC2)cc1Cl
InChIInChI=1S/C25H31ClN4O4/c1-17-4-6-18(7-5-17)16-29-12-13-30(25(29)32)19-8-10-28(11-9-19)24(31)27-21-14-20(26)22(33-2)15-23(21)34-3/h4-7,14-15,19H,8-13,16H2,1-3H3,(H,27,31)
InChIKeyQKFIRCKSJSDKMR-UHFFFAOYSA-N
XLogP4.60
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098532
N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098535
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 53098611
4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 53098565
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 53098591
N-(2,4-difluorophenyl)-4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 53094546
N-(2,3-dimethylphenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098642
N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 53083190
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide
CID 53098595
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23934790
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 3404420

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide (CID 53098533) is N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is COc1cc(OC)c(NC(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C3=O)CC2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
The InChIKey is QKFIRCKSJSDKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O4/c1-17-4-6-18(7-5-17)16-29-12-13-30(25(29)32)19-8-10-28(11-9-19)24(31)27-21-14-20(26)22(33-2)15-23(21)34-3/h4-7,14-15,19H,8-13,16H2,1-3H3,(H,27,31).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide has a molecular weight of 487.00 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53098533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).