6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide

C23H29N3O3 — CID 45246000

IUPAC6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCOc1cccnc1)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C23H29N3O3/c27-22-12-11-20(18-26(22)15-5-9-19-7-2-1-3-8-19)23(28)25-14-6-16-29-21-10-4-13-24-17-21/h1-4,7-8,10,13,17,20H,5-6,9,11-12,14-16,18H2,(H,25,28)
InChIKeyGWKIKXJSQMKGRQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.84
Rot. Bonds10

About 6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide

6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide (PubChem CID 45246000) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
PubChem CID45246000
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCOc1cccnc1)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C23H29N3O3/c27-22-12-11-20(18-26(22)15-5-9-19-7-2-1-3-8-19)23(28)25-14-6-16-29-21-10-4-13-24-17-21/h1-4,7-8,10,13,17,20H,5-6,9,11-12,14-16,18H2,(H,25,28)
InChIKeyGWKIKXJSQMKGRQ-UHFFFAOYSA-N
XLogP2.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
CID 42199281
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 42521558
(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789
1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 45179360
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 72838964
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 24817182
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 24818961
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56701349

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide (CID 45246000) is 6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide is O=C(NCCCOc1cccnc1)C1CCC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of 6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is GWKIKXJSQMKGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-22-12-11-20(18-26(22)15-5-9-19-7-2-1-3-8-19)23(28)25-14-6-16-29-21-10-4-13-24-17-21/h1-4,7-8,10,13,17,20H,5-6,9,11-12,14-16,18H2,(H,25,28).
What are the key properties of 6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide?
6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 45246000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).