1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride

C15H24ClN3O — CID 171393262

IUPAC1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
SMILESCC(NC(=O)NCC1CCNCC1)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-12(14-5-3-2-4-6-14)18-15(19)17-11-13-7-9-16-10-8-13;/h2-6,12-13,16H,7-11H2,1H3,(H2,17,18,19);1H
InChIKeyMBNAWCMBBOFMIC-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.47
Rot. Bonds4

About 1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride

1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride (PubChem CID 171393262) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride.

Molecular Properties

Compound Name1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
PubChem CID171393262
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
SMILESCC(NC(=O)NCC1CCNCC1)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-12(14-5-3-2-4-6-14)18-15(19)17-11-13-7-9-16-10-8-13;/h2-6,12-13,16H,7-11H2,1H3,(H2,17,18,19);1H
InChIKeyMBNAWCMBBOFMIC-UHFFFAOYSA-N
XLogP2.47
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea
CID 126441251
2-methoxy-2-phenyl-N-(piperidin-4-ylmethyl)acetamide
CID 62098228
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
CID 61197265
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide
CID 79026254
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
1-benzhydryl-3-(cyclohexylmethyl)urea
CID 108902827
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride?
The IUPAC name of 1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride (CID 171393262) is 1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride.
What is the SMILES notation for 1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride?
The canonical SMILES for 1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride is CC(NC(=O)NCC1CCNCC1)c1ccccc1.Cl.
What is the InChIKey of 1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride?
The InChIKey is MBNAWCMBBOFMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-12(14-5-3-2-4-6-14)18-15(19)17-11-13-7-9-16-10-8-13;/h2-6,12-13,16H,7-11H2,1H3,(H2,17,18,19);1H.
What are the key properties of 1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride?
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride is sourced from PubChem (CID 171393262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).