[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride

C15H24ClN3O2 — CID 70188455

IUPAC[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride
SMILESCl.NC(=O)N[C@@H](CON1CCCCC1)Cc1ccccc1
InChIInChI=1S/C15H23N3O2.ClH/c16-15(19)17-14(11-13-7-3-1-4-8-13)12-20-18-9-5-2-6-10-18;/h1,3-4,7-8,14H,2,5-6,9-12H2,(H3,16,17,19);1H/t14-;/m1./s1
InChIKeyJTKDEADIJNTCBX-PFEQFJNWSA-N
MW313.83 g/mol
LogP2.11
Rot. Bonds6

About [(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride

[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride (PubChem CID 70188455) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is [(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride.

Molecular Properties

Compound Name[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride
PubChem CID70188455
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride
SMILESCl.NC(=O)N[C@@H](CON1CCCCC1)Cc1ccccc1
InChIInChI=1S/C15H23N3O2.ClH/c16-15(19)17-14(11-13-7-3-1-4-8-13)12-20-18-9-5-2-6-10-18;/h1,3-4,7-8,14H,2,5-6,9-12H2,(H3,16,17,19);1H/t14-;/m1./s1
InChIKeyJTKDEADIJNTCBX-PFEQFJNWSA-N
XLogP2.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(carbamoylamino)-3-phenylpropyl] carbamate
CID 155892632
benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate
CID 70187024
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
[(2R)-2-acetamido-3-phenylpropyl] carbamate
CID 138394001
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
CID 118340486
N-(1-bromo-3-phenylpropan-2-yl)cycloheptanecarboxamide
CID 114311229
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004823
N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 22905459
[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 134813321
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
1,2-diphenylethylurea
CID 2853470

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride?
The IUPAC name of [(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride (CID 70188455) is [(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride.
What is the SMILES notation for [(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride?
The canonical SMILES for [(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride is Cl.NC(=O)N[C@@H](CON1CCCCC1)Cc1ccccc1.
What is the InChIKey of [(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride?
The InChIKey is JTKDEADIJNTCBX-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c16-15(19)17-14(11-13-7-3-1-4-8-13)12-20-18-9-5-2-6-10-18;/h1,3-4,7-8,14H,2,5-6,9-12H2,(H3,16,17,19);1H/t14-;/m1./s1.
What are the key properties of [(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride?
[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]urea;hydrochloride is sourced from PubChem (CID 70188455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).