N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide

C22H26N2O3 — CID 3153440

IUPACN-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c25-16-4-13-23-21(26)19-11-14-24(15-12-19)22(27)20-9-7-18(8-10-20)17-5-2-1-3-6-17/h1-3,5-10,19,25H,4,11-16H2,(H,23,26)
InChIKeyOQEVWGKOMMHRHW-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.70
Rot. Bonds6

About N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide

N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide (PubChem CID 3153440) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
PubChem CID3153440
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c25-16-4-13-23-21(26)19-11-14-24(15-12-19)22(27)20-9-7-18(8-10-20)17-5-2-1-3-6-17/h1-3,5-10,19,25H,4,11-16H2,(H,23,26)
InChIKeyOQEVWGKOMMHRHW-UHFFFAOYSA-N
XLogP2.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide (CID 3153440) is N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide is O=C(NCCCO)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
The InChIKey is OQEVWGKOMMHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-16-4-13-23-21(26)19-11-14-24(15-12-19)22(27)20-9-7-18(8-10-20)17-5-2-1-3-6-17/h1-3,5-10,19,25H,4,11-16H2,(H,23,26).
What are the key properties of N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 3153440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).