N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide

C24H32N2O3 — CID 11950190

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C24H32N2O3/c27-19-22(18-20-8-3-1-4-9-20)25-24(28)21-10-12-23(13-11-21)29-17-7-16-26-14-5-2-6-15-26/h1,3-4,8-13,22,27H,2,5-7,14-19H2,(H,25,28)
InChIKeyZSSKCWZNBLFDTC-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.27
Rot. Bonds10

About N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide

N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide (PubChem CID 11950190) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide
PubChem CID11950190
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C24H32N2O3/c27-19-22(18-20-8-3-1-4-9-20)25-24(28)21-10-12-23(13-11-21)29-17-7-16-26-14-5-2-6-15-26/h1,3-4,8-13,22,27H,2,5-7,14-19H2,(H,25,28)
InChIKeyZSSKCWZNBLFDTC-UHFFFAOYSA-N
XLogP3.27
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid
CID 58748865
N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide
CID 90935627
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 107861397
N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane
CID 143299998
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone;hydrochloride
CID 53231551
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 177234140
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide (CID 11950190) is N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide is O=C(NC(CO)Cc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide?
The InChIKey is ZSSKCWZNBLFDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c27-19-22(18-20-8-3-1-4-9-20)25-24(28)21-10-12-23(13-11-21)29-17-7-16-26-14-5-2-6-15-26/h1,3-4,8-13,22,27H,2,5-7,14-19H2,(H,25,28).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide has a molecular weight of 396.53 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 11950190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).