1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea

C21H26N4O3 — CID 136519359

IUPAC1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)Nc2ccncc2C)CC1
InChIInChI=1S/C21H26N4O3/c1-15-14-22-10-7-18(15)24-21(27)23-17-8-11-25(12-9-17)20(26)13-16-5-3-4-6-19(16)28-2/h3-7,10,14,17H,8-9,11-13H2,1-2H3,(H2,22,23,24,27)
InChIKeyPCYPFDVVBXHSIS-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.75
Rot. Bonds5

About 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea

1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea (PubChem CID 136519359) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea
PubChem CID136519359
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)Nc2ccncc2C)CC1
InChIInChI=1S/C21H26N4O3/c1-15-14-22-10-7-18(15)24-21(27)23-17-8-11-25(12-9-17)20(26)13-16-5-3-4-6-19(16)28-2/h3-7,10,14,17H,8-9,11-13H2,1-2H3,(H2,22,23,24,27)
InChIKeyPCYPFDVVBXHSIS-UHFFFAOYSA-N
XLogP2.75
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)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

(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 120668110
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzamide;hydrochloride
CID 86813960
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51129983
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
N-cyclopropyl-3-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 24790876
2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone
CID 133447444
1-[2-(2-methoxyphenyl)acetyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46600585
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea (CID 136519359) is 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea is COc1ccccc1CC(=O)N1CCC(NC(=O)Nc2ccncc2C)CC1.
What is the InChIKey of 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is PCYPFDVVBXHSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-14-22-10-7-18(15)24-21(27)23-17-8-11-25(12-9-17)20(26)13-16-5-3-4-6-19(16)28-2/h3-7,10,14,17H,8-9,11-13H2,1-2H3,(H2,22,23,24,27).
What are the key properties of 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea?
1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 382.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 136519359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).