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

C18H27N3O2 — CID 72852783

IUPAC1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccnc1)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H27N3O2/c22-18(20-9-5-15-3-1-8-19-13-15)16-4-2-10-21(14-16)17-6-11-23-12-7-17/h1,3,8,13,16-17H,2,4-7,9-12,14H2,(H,20,22)
InChIKeyUECQNXAWVGEIQZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.63
Rot. Bonds5

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

1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide (PubChem CID 72852783) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
PubChem CID72852783
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccnc1)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H27N3O2/c22-18(20-9-5-15-3-1-8-19-13-15)16-4-2-10-21(14-16)17-6-11-23-12-7-17/h1,3,8,13,16-17H,2,4-7,9-12,14H2,(H,20,22)
InChIKeyUECQNXAWVGEIQZ-UHFFFAOYSA-N
XLogP1.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide (CID 72852783) is 1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide is O=C(NCCc1cccnc1)C1CCCN(C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is UECQNXAWVGEIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(20-9-5-15-3-1-8-19-13-15)16-4-2-10-21(14-16)17-6-11-23-12-7-17/h1,3,8,13,16-17H,2,4-7,9-12,14H2,(H,20,22).
What are the key properties of 1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
1-(oxan-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.63, 5 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-(2-pyridin-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72852783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).