1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea

C20H24N4O2 — CID 167807431

IUPAC1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
SMILESCc1ccc(N2CCCC(NC(=O)Nc3ccccc3CN)C2=O)cc1
InChIInChI=1S/C20H24N4O2/c1-14-8-10-16(11-9-14)24-12-4-7-18(19(24)25)23-20(26)22-17-6-3-2-5-15(17)13-21/h2-3,5-6,8-11,18H,4,7,12-13,21H2,1H3,(H2,22,23,26)
InChIKeyPECVQZZNXDKSJV-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.77
Rot. Bonds4

About 1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea

1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea (PubChem CID 167807431) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
PubChem CID167807431
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
SMILESCc1ccc(N2CCCC(NC(=O)Nc3ccccc3CN)C2=O)cc1
InChIInChI=1S/C20H24N4O2/c1-14-8-10-16(11-9-14)24-12-4-7-18(19(24)25)23-20(26)22-17-6-3-2-5-15(17)13-21/h2-3,5-6,8-11,18H,4,7,12-13,21H2,1H3,(H2,22,23,26)
InChIKeyPECVQZZNXDKSJV-UHFFFAOYSA-N
XLogP2.77
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 120611290
1-(2-fluoro-4-methylphenyl)-3-[1-[4-(3-hydroxycyclopentyl)phenyl]-2-oxopiperidin-3-yl]urea
CID 142493573
1-(2-fluoro-4-methylphenyl)-3-[1-[4-(2-hydroxypentan-3-yl)phenyl]-2-oxopiperidin-3-yl]urea
CID 142493574
4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
CID 119806345
1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120991016
[2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten
CID 155745678
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea (CID 167807431) is 1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea is Cc1ccc(N2CCCC(NC(=O)Nc3ccccc3CN)C2=O)cc1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea?
The InChIKey is PECVQZZNXDKSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-8-10-16(11-9-14)24-12-4-7-18(19(24)25)23-20(26)22-17-6-3-2-5-15(17)13-21/h2-3,5-6,8-11,18H,4,7,12-13,21H2,1H3,(H2,22,23,26).
What are the key properties of 1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea?
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea has a molecular weight of 352.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 167807431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).