1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea

C19H22N4O3 — CID 125178879

IUPAC1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
SMILESCN1C[C@@H](NC(=O)Nc2ccccc2OCc2ccccn2)CCC1=O
InChIInChI=1S/C19H22N4O3/c1-23-12-14(9-10-18(23)24)21-19(25)22-16-7-2-3-8-17(16)26-13-15-6-4-5-11-20-15/h2-8,11,14H,9-10,12-13H2,1H3,(H2,21,22,25)/t14-/m0/s1
InChIKeySWKISVAGNQPATG-AWEZNQCLSA-N
MW354.41 g/mol
LogP2.40
Rot. Bonds5

About 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea

1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea (PubChem CID 125178879) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
PubChem CID125178879
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
SMILESCN1C[C@@H](NC(=O)Nc2ccccc2OCc2ccccn2)CCC1=O
InChIInChI=1S/C19H22N4O3/c1-23-12-14(9-10-18(23)24)21-19(25)22-16-7-2-3-8-17(16)26-13-15-6-4-5-11-20-15/h2-8,11,14H,9-10,12-13H2,1H3,(H2,21,22,25)/t14-/m0/s1
InChIKeySWKISVAGNQPATG-AWEZNQCLSA-N
XLogP2.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-N-[2-(pyridin-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 156609618
1-(1-methyl-6-oxopiperidin-3-yl)-3-[2-propoxy-5-(trifluoromethyl)phenyl]urea
CID 166211547
1-(2,4-dimethylphenyl)-5-oxo-N-[2-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46976154
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
CID 72892352
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126788269
2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
CID 71863347
1-[2-(2-methylpropoxy)phenyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87010573
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
(2R)-1-cyclohexyl-N-[2-(pyridin-2-ylmethoxy)phenyl]azetidine-2-carboxamide
CID 92613459
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461
1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[(3S)-1-methyl-6-oxopiperidin-3-yl]urea
CID 95774153
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea (CID 125178879) is 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea is CN1C[C@@H](NC(=O)Nc2ccccc2OCc2ccccn2)CCC1=O.
What is the InChIKey of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea?
The InChIKey is SWKISVAGNQPATG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-23-12-14(9-10-18(23)24)21-19(25)22-16-7-2-3-8-17(16)26-13-15-6-4-5-11-20-15/h2-8,11,14H,9-10,12-13H2,1H3,(H2,21,22,25)/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea?
1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea has a molecular weight of 354.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea is sourced from PubChem (CID 125178879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).