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

C15H21N3O2 — CID 47326206

IUPAC1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
SMILESCNC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-11-7-9-18(10-8-11)14(19)12-3-5-13(6-4-12)17-15(20)16-2/h3-6,11H,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyHFLBNWCYPVFLBA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.31
Rot. Bonds2

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

1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea (PubChem CID 47326206) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
PubChem CID47326206
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
SMILESCNC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-11-7-9-18(10-8-11)14(19)12-3-5-13(6-4-12)17-15(20)16-2/h3-6,11H,7-10H2,1-2H3,(H2,16,17,20)
InChIKeyHFLBNWCYPVFLBA-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545836
N-methyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830446
1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60545834
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
4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 119745800
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(1S,6S)-6-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 52506416
2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179593
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea (CID 47326206) is 1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea is CNC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
The InChIKey is HFLBNWCYPVFLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-7-9-18(10-8-11)14(19)12-3-5-13(6-4-12)17-15(20)16-2/h3-6,11H,7-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea?
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea has a molecular weight of 275.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 47326206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).