(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C17H19N3O3 — CID 32618175

IUPAC(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C17H19N3O3/c21-16(19-11-13-4-1-7-18-10-13)14-5-2-8-20(12-14)17(22)15-6-3-9-23-15/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2,(H,19,21)/t14-/m1/s1
InChIKeyPZOMLNXXZBIPMN-CQSZACIVSA-N
MW313.36 g/mol
LogP1.84
Rot. Bonds4

About (3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 32618175) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID32618175
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C17H19N3O3/c21-16(19-11-13-4-1-7-18-10-13)14-5-2-8-20(12-14)17(22)15-6-3-9-23-15/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2,(H,19,21)/t14-/m1/s1
InChIKeyPZOMLNXXZBIPMN-CQSZACIVSA-N
XLogP1.84
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 32618175) is (3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccnc1)[C@@H]1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of (3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PZOMLNXXZBIPMN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(19-11-13-4-1-7-18-10-13)14-5-2-8-20(12-14)17(22)15-6-3-9-23-15/h1,3-4,6-7,9-10,14H,2,5,8,11-12H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 32618175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).