1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea

C17H25ClN4O2 — CID 119396282

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCNCC1CCCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN4O2/c1-19-9-14-3-2-8-22(12-14)16(23)11-21-17(24)20-10-13-4-6-15(18)7-5-13/h4-7,14,19H,2-3,8-12H2,1H3,(H2,20,21,24)
InChIKeyXPBCZIJAYJIGCB-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.60
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea

1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 119396282) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea
PubChem CID119396282
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCNCC1CCCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN4O2/c1-19-9-14-3-2-8-22(12-14)16(23)11-21-17(24)20-10-13-4-6-15(18)7-5-13/h4-7,14,19H,2-3,8-12H2,1H3,(H2,20,21,24)
InChIKeyXPBCZIJAYJIGCB-UHFFFAOYSA-N
XLogP1.60
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]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

N-(2-aminoethyl)-1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]piperidine-3-carboxamide
CID 119480384
1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354501
2-[1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178610
2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241822
N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505510
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
1-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea
CID 120656650
1-[2-[(2S)-2-[(1R)-1-aminoethyl]morpholin-4-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea
CID 99776153
2-(4-chlorophenyl)-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119394762
2-(3-bromo-4-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119397501
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
4-(3,4-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119397212

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea (CID 119396282) is 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea is CNCC1CCCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is XPBCZIJAYJIGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-19-9-14-3-2-8-22(12-14)16(23)11-21-17(24)20-10-13-4-6-15(18)7-5-13/h4-7,14,19H,2-3,8-12H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 352.87 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 119396282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).