1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea

C21H31N3O2 — CID 60545836

IUPAC1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
SMILESCC1CCN(C(=O)c2ccc(NC(=O)NC3CCCCC3C)cc2)CC1
InChIInChI=1S/C21H31N3O2/c1-15-11-13-24(14-12-15)20(25)17-7-9-18(10-8-17)22-21(26)23-19-6-4-3-5-16(19)2/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H2,22,23,26)
InChIKeyXXROFKCFRDPZHR-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.26
Rot. Bonds3

About 1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea

1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea (PubChem CID 60545836) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
PubChem CID60545836
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
SMILESCC1CCN(C(=O)c2ccc(NC(=O)NC3CCCCC3C)cc2)CC1
InChIInChI=1S/C21H31N3O2/c1-15-11-13-24(14-12-15)20(25)17-7-9-18(10-8-17)22-21(26)23-19-6-4-3-5-16(19)2/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H2,22,23,26)
InChIKeyXXROFKCFRDPZHR-UHFFFAOYSA-N
XLogP4.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60545834
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
2-(4-methylpiperidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54816946
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea (CID 60545836) is 1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea is CC1CCN(C(=O)c2ccc(NC(=O)NC3CCCCC3C)cc2)CC1.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
The InChIKey is XXROFKCFRDPZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-11-13-24(14-12-15)20(25)17-7-9-18(10-8-17)22-21(26)23-19-6-4-3-5-16(19)2/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea has a molecular weight of 357.50 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 60545836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).