[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea

C21H25N3O2 — CID 119129647

IUPAC[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
SMILESCC1(c2ccccc2)CCCN(C(=O)c2ccc(CNC(N)=O)cc2)C1
InChIInChI=1S/C21H25N3O2/c1-21(18-6-3-2-4-7-18)12-5-13-24(15-21)19(25)17-10-8-16(9-11-17)14-23-20(22)26/h2-4,6-11H,5,12-15H2,1H3,(H3,22,23,26)
InChIKeyFGHCYPDMAJSQSL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.05
Rot. Bonds4

About [4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea

[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea (PubChem CID 119129647) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea.

Molecular Properties

Compound Name[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
PubChem CID119129647
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
SMILESCC1(c2ccccc2)CCCN(C(=O)c2ccc(CNC(N)=O)cc2)C1
InChIInChI=1S/C21H25N3O2/c1-21(18-6-3-2-4-7-18)12-5-13-24(15-21)19(25)17-10-8-16(9-11-17)14-23-20(22)26/h2-4,6-11H,5,12-15H2,1H3,(H3,22,23,26)
InChIKeyFGHCYPDMAJSQSL-UHFFFAOYSA-N
XLogP3.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
2-[2-methoxy-4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 119129651
1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 97138452
N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643842
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
(3S)-1-[4-(acetamidomethyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124681968

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea?
The IUPAC name of [4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea (CID 119129647) is [4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea.
What is the SMILES notation for [4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea?
The canonical SMILES for [4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea is CC1(c2ccccc2)CCCN(C(=O)c2ccc(CNC(N)=O)cc2)C1.
What is the InChIKey of [4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea?
The InChIKey is FGHCYPDMAJSQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(18-6-3-2-4-7-18)12-5-13-24(15-21)19(25)17-10-8-16(9-11-17)14-23-20(22)26/h2-4,6-11H,5,12-15H2,1H3,(H3,22,23,26).
What are the key properties of [4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea?
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea has a molecular weight of 351.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea is sourced from PubChem (CID 119129647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).