1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C12H17N3O — CID 11790693

IUPAC1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H17N3O/c13-12(16)10-4-7-15(8-5-10)9-11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9H2,(H2,13,16)
InChIKeyWNPPFPMDZNEZBL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.78
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 11790693) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID11790693
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H17N3O/c13-12(16)10-4-7-15(8-5-10)9-11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9H2,(H2,13,16)
InChIKeyWNPPFPMDZNEZBL-UHFFFAOYSA-N
XLogP0.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 11790693) is 1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is WNPPFPMDZNEZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(16)10-4-7-15(8-5-10)9-11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9H2,(H2,13,16).
What are the key properties of 1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 11790693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).