1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride

C12H17Cl2N3O — CID 53255615

IUPAC1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cc1)NC1CCNCC1
InChIInChI=1S/C12H16ClN3O.ClH/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11;/h1-4,11,14H,5-8H2,(H2,15,16,17);1H
InChIKeyRKFKSDABRXRRPV-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.64
Rot. Bonds2

About 1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride

1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride (PubChem CID 53255615) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
PubChem CID53255615
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)cc1)NC1CCNCC1
InChIInChI=1S/C12H16ClN3O.ClH/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11;/h1-4,11,14H,5-8H2,(H2,15,16,17);1H
InChIKeyRKFKSDABRXRRPV-UHFFFAOYSA-N
XLogP2.64
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride
CID 165429684
methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616953
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-piperidin-4-ylurea
CID 118409077
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204
tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea
CID 174569625

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride (CID 53255615) is 1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride is Cl.O=C(Nc1ccc(Cl)cc1)NC1CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride?
The InChIKey is RKFKSDABRXRRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O.ClH/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11;/h1-4,11,14H,5-8H2,(H2,15,16,17);1H.
What are the key properties of 1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride?
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride has a molecular weight of 290.19 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride is sourced from PubChem (CID 53255615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).