1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide

C19H29N3O2 — CID 118760765

IUPAC1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccn1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C19H29N3O2/c23-19(21-11-3-5-17-4-1-2-10-20-17)16-6-12-22(13-7-16)18-8-14-24-15-9-18/h1-2,4,10,16,18H,3,5-9,11-15H2,(H,21,23)
InChIKeyONBPMXWEJVQGJQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.02
Rot. Bonds6

About 1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide

1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 118760765) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
PubChem CID118760765
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccn1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C19H29N3O2/c23-19(21-11-3-5-17-4-1-2-10-20-17)16-6-12-22(13-7-16)18-8-14-24-15-9-18/h1-2,4,10,16,18H,3,5-9,11-15H2,(H,21,23)
InChIKeyONBPMXWEJVQGJQ-UHFFFAOYSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.02
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

N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 56867752
(3S,5R)-1-(oxan-4-yl)-5-(pyridin-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 56897235
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
1-(oxan-4-yl)-N-(3-pyrrol-1-ylpropyl)piperidine-4-carboxamide
CID 119062469
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
CID 154910386
1-(oxan-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 118768994
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
CID 155501002

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide (CID 118760765) is 1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide is O=C(NCCCc1ccccn1)C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide?
The InChIKey is ONBPMXWEJVQGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(21-11-3-5-17-4-1-2-10-20-17)16-6-12-22(13-7-16)18-8-14-24-15-9-18/h1-2,4,10,16,18H,3,5-9,11-15H2,(H,21,23).
What are the key properties of 1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide?
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 118760765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).