N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride

C33H39ClN2O2 — CID 162671504

IUPACN-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1.Cl
InChIInChI=1S/C33H38N2O2.ClH/c1-24(37)34-30-15-13-29(14-16-30)33(32(8-5-23-36)27-6-3-2-4-7-27)28-11-9-25(10-12-28)26-19-21-35(22-20-26)31-17-18-31;/h2-4,6-7,9-16,26,31,36H,5,8,17-23H2,1H3,(H,34,37);1H/b33-32+;
InChIKeyCZXZUXWYNZFDGE-BQTTXISVSA-N
MW531.14 g/mol
LogP7.14
Rot. Bonds9

About N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride

N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride (PubChem CID 162671504) has the molecular formula C33H39ClN2O2 and a molecular weight of 531.14 g/mol. Its IUPAC name is N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride
PubChem CID162671504
Molecular FormulaC33H39ClN2O2
Molecular Weight531.14 g/mol
Exact Mass530.27
IUPAC NameN-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1.Cl
InChIInChI=1S/C33H38N2O2.ClH/c1-24(37)34-30-15-13-29(14-16-30)33(32(8-5-23-36)27-6-3-2-4-7-27)28-11-9-25(10-12-28)26-19-21-35(22-20-26)31-17-18-31;/h2-4,6-7,9-16,26,31,36H,5,8,17-23H2,1H3,(H,34,37);1H/b33-32+;
InChIKeyCZXZUXWYNZFDGE-BQTTXISVSA-N
XLogP7.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.14
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride (CID 162671504) is N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1.Cl.
What is the InChIKey of N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride?
The InChIKey is CZXZUXWYNZFDGE-BQTTXISVSA-N. The full InChI is InChI=1S/C33H38N2O2.ClH/c1-24(37)34-30-15-13-29(14-16-30)33(32(8-5-23-36)27-6-3-2-4-7-27)28-11-9-25(10-12-28)26-19-21-35(22-20-26)31-17-18-31;/h2-4,6-7,9-16,26,31,36H,5,8,17-23H2,1H3,(H,34,37);1H/b33-32+;.
What are the key properties of N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride?
N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride has a molecular weight of 531.14 g/mol, XLogP of 7.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 162671504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).