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

C16H25N3O — CID 3151179

IUPACN-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H25N3O/c1-2-3-9-18-16(20)14-7-11-19(12-8-14)13-15-6-4-5-10-17-15/h4-6,10,14H,2-3,7-9,11-13H2,1H3,(H,18,20)
InChIKeyVGFUERGAVHEJSJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.21
Rot. Bonds6

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

N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3151179) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3151179
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H25N3O/c1-2-3-9-18-16(20)14-7-11-19(12-8-14)13-15-6-4-5-10-17-15/h4-6,10,14H,2-3,7-9,11-13H2,1H3,(H,18,20)
InChIKeyVGFUERGAVHEJSJ-UHFFFAOYSA-N
XLogP2.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 3151179) is N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is VGFUERGAVHEJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-3-9-18-16(20)14-7-11-19(12-8-14)13-15-6-4-5-10-17-15/h4-6,10,14H,2-3,7-9,11-13H2,1H3,(H,18,20).
What are the key properties of N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3151179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).