1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride

C15H24ClN3O — CID 165429715

IUPAC1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
SMILESCl.O=C(NCCc1ccccc1)NC[C@H]1CCCNC1
InChIInChI=1S/C15H23N3O.ClH/c19-15(18-12-14-7-4-9-16-11-14)17-10-8-13-5-2-1-3-6-13;/h1-3,5-6,14,16H,4,7-12H2,(H2,17,18,19);1H/t14-;/m0./s1
InChIKeyPLHFUYRRPCVRGQ-UQKRIMTDSA-N
MW297.83 g/mol
LogP1.95
Rot. Bonds5

About 1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride

1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride (PubChem CID 165429715) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
PubChem CID165429715
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
SMILESCl.O=C(NCCc1ccccc1)NC[C@H]1CCCNC1
InChIInChI=1S/C15H23N3O.ClH/c19-15(18-12-14-7-4-9-16-11-14)17-10-8-13-5-2-1-3-6-13;/h1-3,5-6,14,16H,4,7-12H2,(H2,17,18,19);1H/t14-;/m0./s1
InChIKeyPLHFUYRRPCVRGQ-UQKRIMTDSA-N
XLogP1.95
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235098
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
1-(2,6-difluorophenyl)-3-(piperidin-3-ylmethyl)urea;hydrochloride
CID 165430548
1-(azetidin-3-ylmethyl)-3-benzylurea
CID 117235420
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride?
The IUPAC name of 1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride (CID 165429715) is 1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride.
What is the SMILES notation for 1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride?
The canonical SMILES for 1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride is Cl.O=C(NCCc1ccccc1)NC[C@H]1CCCNC1.
What is the InChIKey of 1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride?
The InChIKey is PLHFUYRRPCVRGQ-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c19-15(18-12-14-7-4-9-16-11-14)17-10-8-13-5-2-1-3-6-13;/h1-3,5-6,14,16H,4,7-12H2,(H2,17,18,19);1H/t14-;/m0./s1.
What are the key properties of 1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride?
1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride is sourced from PubChem (CID 165429715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).