1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one

C26H33N3O3 — CID 45179360

IUPAC1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(OCc3cccnc3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C26H33N3O3/c30-25-11-10-23(19-29(25)15-5-9-21-6-2-1-3-7-21)26(31)28-16-12-24(13-17-28)32-20-22-8-4-14-27-18-22/h1-4,6-8,14,18,23-24H,5,9-13,15-17,19-20H2
InChIKeyJRGYXIVHEAJQPF-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.46
Rot. Bonds8

About 1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one

1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 45179360) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
PubChem CID45179360
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(OCc3cccnc3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C26H33N3O3/c30-25-11-10-23(19-29(25)15-5-9-21-6-2-1-3-7-21)26(31)28-16-12-24(13-17-28)32-20-22-8-4-14-27-18-22/h1-4,6-8,14,18,23-24H,5,9-13,15-17,19-20H2
InChIKeyJRGYXIVHEAJQPF-UHFFFAOYSA-N
XLogP3.46
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenylmethoxypiperidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 131915998
4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 131952282
6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
CID 45246000
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 75462351
5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
CID 45215310
(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 96560292
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70773170
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one (CID 45179360) is 1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one is O=C1CCC(C(=O)N2CCC(OCc3cccnc3)CC2)CN1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is JRGYXIVHEAJQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-25-11-10-23(19-29(25)15-5-9-21-6-2-1-3-7-21)26(31)28-16-12-24(13-17-28)32-20-22-8-4-14-27-18-22/h1-4,6-8,14,18,23-24H,5,9-13,15-17,19-20H2.
What are the key properties of 1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one?
1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 435.57 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-5-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 45179360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).