4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide

C16H25N3O — CID 23381452

IUPAC4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
SMILESCCCCC1CCN(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C16H25N3O/c1-2-3-5-14-7-10-19(11-8-14)16(20)18-13-15-6-4-9-17-12-15/h4,6,9,12,14H,2-3,5,7-8,10-11,13H2,1H3,(H,18,20)
InChIKeyYMGZKPPOURQVAQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.19
Rot. Bonds5

About 4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide

4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 23381452) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
PubChem CID23381452
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
SMILESCCCCC1CCN(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C16H25N3O/c1-2-3-5-14-7-10-19(11-8-14)16(20)18-13-15-6-4-9-17-12-15/h4,6,9,12,14H,2-3,5,7-8,10-11,13H2,1H3,(H,18,20)
InChIKeyYMGZKPPOURQVAQ-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
4-[[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide;dihydrochloride
CID 18353002
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
N-[(4-fluorophenyl)methyl]-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151043
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 86992722
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide (CID 23381452) is 4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide is CCCCC1CCN(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is YMGZKPPOURQVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-3-5-14-7-10-19(11-8-14)16(20)18-13-15-6-4-9-17-12-15/h4,6,9,12,14H,2-3,5,7-8,10-11,13H2,1H3,(H,18,20).
What are the key properties of 4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide?
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 23381452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).