1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea

C22H28N4O2 — CID 87010519

IUPAC1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)N(C)CCc2ccccn2)cc1
InChIInChI=1S/C22H28N4O2/c1-17-7-4-6-15-26(17)21(27)18-9-11-20(12-10-18)24-22(28)25(2)16-13-19-8-3-5-14-23-19/h3,5,8-12,14,17H,4,6-7,13,15-16H2,1-2H3,(H,24,28)
InChIKeyXSGZYWYEPBBCFG-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.80
Rot. Bonds5

About 1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea

1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea (PubChem CID 87010519) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea
PubChem CID87010519
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)N(C)CCc2ccccn2)cc1
InChIInChI=1S/C22H28N4O2/c1-17-7-4-6-15-26(17)21(27)18-9-11-20(12-10-18)24-22(28)25(2)16-13-19-8-3-5-14-23-19/h3,5,8-12,14,17H,4,6-7,13,15-16H2,1-2H3,(H,24,28)
InChIKeyXSGZYWYEPBBCFG-UHFFFAOYSA-N
XLogP3.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea
CID 72848016
3-(4-cyclopentylsulfonylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86988743
1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47490267
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86994772
[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932008
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide
CID 95788889
3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781714
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 130315704

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea (CID 87010519) is 1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea is CC1CCCCN1C(=O)c1ccc(NC(=O)N(C)CCc2ccccn2)cc1.
What is the InChIKey of 1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is XSGZYWYEPBBCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-7-4-6-15-26(17)21(27)18-9-11-20(12-10-18)24-22(28)25(2)16-13-19-8-3-5-14-23-19/h3,5,8-12,14,17H,4,6-7,13,15-16H2,1-2H3,(H,24,28).
What are the key properties of 1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea?
1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 380.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 87010519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).