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

C24H32N2O3 — CID 90935627

IUPACN-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide
SMILESCC(O)(CNC(=O)c1ccc(OCCCN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-24(28,21-9-4-2-5-10-21)19-25-23(27)20-11-13-22(14-12-20)29-18-8-17-26-15-6-3-7-16-26/h2,4-5,9-14,28H,3,6-8,15-19H2,1H3,(H,25,27)
InChIKeyJQQKQMFQBMZWSF-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.58
Rot. Bonds9

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

N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide (PubChem CID 90935627) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide
PubChem CID90935627
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide
SMILESCC(O)(CNC(=O)c1ccc(OCCCN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-24(28,21-9-4-2-5-10-21)19-25-23(27)20-11-13-22(14-12-20)29-18-8-17-26-15-6-3-7-16-26/h2,4-5,9-14,28H,3,6-8,15-19H2,1H3,(H,25,27)
InChIKeyJQQKQMFQBMZWSF-UHFFFAOYSA-N
XLogP3.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.58
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

1-(2-hydroxy-2-phenylpropyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 111334586
N-(1-hydroxy-3-phenylpropan-2-yl)-4-(3-piperidin-1-ylpropoxy)benzamide
CID 11950190
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
1-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]piperidine;oxalic acid
CID 2922263
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
CID 100690251
N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide (CID 90935627) is N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide is CC(O)(CNC(=O)c1ccc(OCCCN2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide?
The InChIKey is JQQKQMFQBMZWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-24(28,21-9-4-2-5-10-21)19-25-23(27)20-11-13-22(14-12-20)29-18-8-17-26-15-6-3-7-16-26/h2,4-5,9-14,28H,3,6-8,15-19H2,1H3,(H,25,27).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide?
N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide has a molecular weight of 396.53 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 90935627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).