3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride

C20H33ClN4O — CID 146065182

IUPAC3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride
SMILESCl.O=C(NCCc1ccccc1)N(CCN1CCCC1)C1CCCNC1
InChIInChI=1S/C20H32N4O.ClH/c25-20(22-12-10-18-7-2-1-3-8-18)24(19-9-6-11-21-17-19)16-15-23-13-4-5-14-23;/h1-3,7-8,19,21H,4-6,9-17H2,(H,22,25);1H
InChIKeyFAJDAQVJTFLLTI-UHFFFAOYSA-N
MW380.96 g/mol
LogP2.51
Rot. Bonds7

About 3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride

3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride (PubChem CID 146065182) has the molecular formula C20H33ClN4O and a molecular weight of 380.96 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride.

Molecular Properties

Compound Name3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride
PubChem CID146065182
Molecular FormulaC20H33ClN4O
Molecular Weight380.96 g/mol
Exact Mass380.23
IUPAC Name3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride
SMILESCl.O=C(NCCc1ccccc1)N(CCN1CCCC1)C1CCCNC1
InChIInChI=1S/C20H32N4O.ClH/c25-20(22-12-10-18-7-2-1-3-8-18)24(19-9-6-11-21-17-19)16-15-23-13-4-5-14-23;/h1-3,7-8,19,21H,4-6,9-17H2,(H,22,25);1H
InChIKeyFAJDAQVJTFLLTI-UHFFFAOYSA-N
XLogP2.51
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride
CID 146065183
N-(3-morpholin-4-ylpropyl)-4-phenyl-N-piperidin-3-ylbutanamide;hydrochloride
CID 146065225
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
1-(2-phenylethyl)-3-[[(3S)-piperidin-3-yl]methyl]urea;hydrochloride
CID 165429715
N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylfuran-2-carboxamide;hydrochloride
CID 146065227
4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122022295
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea
CID 53234561
5-methyl-N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 146071644
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63641962
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542
N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 99946333

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride?
The IUPAC name of 3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride (CID 146065182) is 3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride.
What is the SMILES notation for 3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride?
The canonical SMILES for 3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride is Cl.O=C(NCCc1ccccc1)N(CCN1CCCC1)C1CCCNC1.
What is the InChIKey of 3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride?
The InChIKey is FAJDAQVJTFLLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.ClH/c25-20(22-12-10-18-7-2-1-3-8-18)24(19-9-6-11-21-17-19)16-15-23-13-4-5-14-23;/h1-3,7-8,19,21H,4-6,9-17H2,(H,22,25);1H.
What are the key properties of 3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride?
3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride has a molecular weight of 380.96 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1-piperidin-3-yl-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride is sourced from PubChem (CID 146065182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).