1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea

C16H18ClN5O2 — CID 71870393

IUPAC1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)NC2CCCN(c3ccccc3Cl)C2=O)cn1
InChIInChI=1S/C16H18ClN5O2/c1-21-10-11(9-18-21)19-16(24)20-13-6-4-8-22(15(13)23)14-7-3-2-5-12(14)17/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H2,19,20,24)
InChIKeyHBSHTQBOHNWLSN-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.39
Rot. Bonds3

About 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea

1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea (PubChem CID 71870393) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea
PubChem CID71870393
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)NC2CCCN(c3ccccc3Cl)C2=O)cn1
InChIInChI=1S/C16H18ClN5O2/c1-21-10-11(9-18-21)19-16(24)20-13-6-4-8-22(15(13)23)14-7-3-2-5-12(14)17/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H2,19,20,24)
InChIKeyHBSHTQBOHNWLSN-UHFFFAOYSA-N
XLogP2.39
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)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

1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 168283878
N-(4-chlorophenyl)-N'-(1-ethylpyrazol-4-yl)oxamide
CID 57523322
(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484049
N-(3-chloro-4-fluoro-phenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484585
N-(2-chlorophenyl)-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26328592
N-(2-chlorophenyl)-3-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26392286
2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49279405
2-[4-[1-(2-Chlorophenyl)propan-2-ylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53502170
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53502526
2-[4-[1-(4-Chlorophenyl)propan-2-ylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53502613
2-[4-[1-(3-Chlorophenyl)propan-2-ylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53503559
2-[4-[[(4-Chlorophenyl)methyl-methylcarbamoyl]amino]pyrazol-1-yl]acetamide
CID 53503571

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea (CID 71870393) is 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea is Cn1cc(NC(=O)NC2CCCN(c3ccccc3Cl)C2=O)cn1.
What is the InChIKey of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is HBSHTQBOHNWLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-21-10-11(9-18-21)19-16(24)20-13-6-4-8-22(15(13)23)14-7-3-2-5-12(14)17/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H2,19,20,24).
What are the key properties of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea?
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 347.81 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 71870393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).