1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea

C22H26ClN3O — CID 113214541

IUPAC1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H26ClN3O/c23-18-6-4-17(5-7-18)22(12-13-22)16-24-21(27)25-19-8-10-20(11-9-19)26-14-2-1-3-15-26/h4-11H,1-3,12-16H2,(H2,24,25,27)
InChIKeyBOWGKRWWGSTAGV-UHFFFAOYSA-N
MW383.92 g/mol
LogP5.18
Rot. Bonds5

About 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea (PubChem CID 113214541) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea
PubChem CID113214541
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H26ClN3O/c23-18-6-4-17(5-7-18)22(12-13-22)16-24-21(27)25-19-8-10-20(11-9-19)26-14-2-1-3-15-26/h4-11H,1-3,12-16H2,(H2,24,25,27)
InChIKeyBOWGKRWWGSTAGV-UHFFFAOYSA-N
XLogP5.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108507754
1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992520
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
N-ethyl-2-[(4-piperidin-1-ylphenyl)carbamoylamino]acetamide
CID 86986680
2-methyl-3-[(4-pyrrolidin-1-ylphenyl)carbamoylamino]propanoic acid
CID 63179912
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 113214060

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea (CID 113214541) is 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea is O=C(NCC1(c2ccc(Cl)cc2)CC1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea?
The InChIKey is BOWGKRWWGSTAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c23-18-6-4-17(5-7-18)22(12-13-22)16-24-21(27)25-19-8-10-20(11-9-19)26-14-2-1-3-15-26/h4-11H,1-3,12-16H2,(H2,24,25,27).
What are the key properties of 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea?
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea has a molecular weight of 383.92 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 113214541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).