1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea

C21H31N3O3 — CID 7441712

IUPAC1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea
SMILESCOc1ccc(NC(=O)NC2(C(=O)N3CCC[C@H](C)C3)CCCCC2)cc1
InChIInChI=1S/C21H31N3O3/c1-16-7-6-14-24(15-16)19(25)21(12-4-3-5-13-21)23-20(26)22-17-8-10-18(27-2)11-9-17/h8-11,16H,3-7,12-15H2,1-2H3,(H2,22,23,26)/t16-/m0/s1
InChIKeyMMPDQHFDXFRBFZ-INIZCTEOSA-N
MW373.50 g/mol
LogP3.78
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea

1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea (PubChem CID 7441712) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea
PubChem CID7441712
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea
SMILESCOc1ccc(NC(=O)NC2(C(=O)N3CCC[C@H](C)C3)CCCCC2)cc1
InChIInChI=1S/C21H31N3O3/c1-16-7-6-14-24(15-16)19(25)21(12-4-3-5-13-21)23-20(26)22-17-8-10-18(27-2)11-9-17/h8-11,16H,3-7,12-15H2,1-2H3,(H2,22,23,26)/t16-/m0/s1
InChIKeyMMPDQHFDXFRBFZ-INIZCTEOSA-N
XLogP3.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea with MolForge

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Related Compounds

1-[1-(azepane-1-carbonyl)cyclohexyl]-3-(4-methoxyphenyl)urea
CID 654353
N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide
CID 113215638
1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100678357
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide
CID 125061190
(3S)-N-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioamide
CID 1257728
1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 125060336
[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 97465565
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
CID 175001605
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea (CID 7441712) is 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea is COc1ccc(NC(=O)NC2(C(=O)N3CCC[C@H](C)C3)CCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea?
The InChIKey is MMPDQHFDXFRBFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-7-6-14-24(15-16)19(25)21(12-4-3-5-13-21)23-20(26)22-17-8-10-18(27-2)11-9-17/h8-11,16H,3-7,12-15H2,1-2H3,(H2,22,23,26)/t16-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea?
1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea has a molecular weight of 373.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[1-[(3S)-3-methylpiperidine-1-carbonyl]cyclohexyl]urea is sourced from PubChem (CID 7441712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).