1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride

C20H25Cl2N3O — CID 67240233

IUPAC1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cc1)Nc1ccc(CCC2CCCNC2)cc1
InChIInChI=1S/C20H24ClN3O.ClH/c21-17-7-11-19(12-8-17)24-20(25)23-18-9-5-15(6-10-18)3-4-16-2-1-13-22-14-16;/h5-12,16,22H,1-4,13-14H2,(H2,23,24,25);1H
InChIKeyXRWZQVBZGIBBOU-UHFFFAOYSA-N
MW394.35 g/mol
LogP5.34
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride

1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride (PubChem CID 67240233) has the molecular formula C20H25Cl2N3O and a molecular weight of 394.35 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride
PubChem CID67240233
Molecular FormulaC20H25Cl2N3O
Molecular Weight394.35 g/mol
Exact Mass393.14
IUPAC Name1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cc1)Nc1ccc(CCC2CCCNC2)cc1
InChIInChI=1S/C20H24ClN3O.ClH/c21-17-7-11-19(12-8-17)24-20(25)23-18-9-5-15(6-10-18)3-4-16-2-1-13-22-14-16;/h5-12,16,22H,1-4,13-14H2,(H2,23,24,25);1H
InChIKeyXRWZQVBZGIBBOU-UHFFFAOYSA-N
XLogP5.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide
CID 124566306
1-(5-chloro-2-pyridinyl)-3-[4-(2-pyrrolidin-3-ylethyl)phenyl]urea
CID 53250440
N-(4-chlorophenyl)-2-(piperidin-3-ylmethoxy)acetamide
CID 62341062
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115340003
methyl 4-(2-piperidin-3-ylethyl)benzoate
CID 126844861
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119556453
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
CID 53251569
4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
CID 124566275
N-(4-chlorophenyl)-2-piperidin-3-ylsulfonylacetamide
CID 84755057

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride (CID 67240233) is 1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride is Cl.O=C(Nc1ccc(Cl)cc1)Nc1ccc(CCC2CCCNC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride?
The InChIKey is XRWZQVBZGIBBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O.ClH/c21-17-7-11-19(12-8-17)24-20(25)23-18-9-5-15(6-10-18)3-4-16-2-1-13-22-14-16;/h5-12,16,22H,1-4,13-14H2,(H2,23,24,25);1H.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride?
1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride has a molecular weight of 394.35 g/mol, XLogP of 5.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride is sourced from PubChem (CID 67240233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).