1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea

C23H29N3O2 — CID 52525109

IUPAC1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea
SMILESCc1cc(C)cc(NC(=O)N[C@H](C(=O)N2CCC(C)CC2)c2ccccc2)c1
InChIInChI=1S/C23H29N3O2/c1-16-9-11-26(12-10-16)22(27)21(19-7-5-4-6-8-19)25-23(28)24-20-14-17(2)13-18(3)15-20/h4-8,13-16,21H,9-12H2,1-3H3,(H2,24,25,28)/t21-/m0/s1
InChIKeyBJXJDYAPFSRPPT-NRFANRHFSA-N
MW379.50 g/mol
LogP4.42
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea

1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea (PubChem CID 52525109) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea
PubChem CID52525109
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea
SMILESCc1cc(C)cc(NC(=O)N[C@H](C(=O)N2CCC(C)CC2)c2ccccc2)c1
InChIInChI=1S/C23H29N3O2/c1-16-9-11-26(12-10-16)22(27)21(19-7-5-4-6-8-19)25-23(28)24-20-14-17(2)13-18(3)15-20/h4-8,13-16,21H,9-12H2,1-3H3,(H2,24,25,28)/t21-/m0/s1
InChIKeyBJXJDYAPFSRPPT-NRFANRHFSA-N
XLogP4.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-trimethyl-2-[[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]pentanamide
CID 51122331
N-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 55520388
N-(3,5-dimethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052336
1-[(1S)-2-(4-benzylpiperidin-1-yl)-2-oxo-1-phenylethyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 11364250
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
2-[(3-methylphenyl)carbamoylamino]-2-phenylacetamide
CID 17438270
N-(3,5-dimethylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095481
1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea
CID 110287025
1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 159427910
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992
N-(3,5-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 51167515

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea (CID 52525109) is 1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea is Cc1cc(C)cc(NC(=O)N[C@H](C(=O)N2CCC(C)CC2)c2ccccc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea?
The InChIKey is BJXJDYAPFSRPPT-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-9-11-26(12-10-16)22(27)21(19-7-5-4-6-8-19)25-23(28)24-20-14-17(2)13-18(3)15-20/h4-8,13-16,21H,9-12H2,1-3H3,(H2,24,25,28)/t21-/m0/s1.
What are the key properties of 1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea?
1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea has a molecular weight of 379.50 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[(1S)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 52525109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).