N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide

C17H22N4O — CID 121108857

IUPACN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)C2CCC2)CC1
InChIInChI=1S/C17H22N4O/c18-11-15-5-2-8-19-16(15)21-9-6-13(7-10-21)12-20-17(22)14-3-1-4-14/h2,5,8,13-14H,1,3-4,6-7,9-10,12H2,(H,20,22)
InChIKeyQRBXMDHXFUJAKK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.09
Rot. Bonds4

About N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide (PubChem CID 121108857) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
PubChem CID121108857
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)C2CCC2)CC1
InChIInChI=1S/C17H22N4O/c18-11-15-5-2-8-19-16(15)21-9-6-13(7-10-21)12-20-17(22)14-3-1-4-14/h2,5,8,13-14H,1,3-4,6-7,9-10,12H2,(H,20,22)
InChIKeyQRBXMDHXFUJAKK-UHFFFAOYSA-N
XLogP2.09
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 121109858
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335548
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121108885
1-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 121109003
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 121107742
(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 95378636
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 121108927

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide (CID 121108857) is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide is N#Cc1cccnc1N1CCC(CNC(=O)C2CCC2)CC1.
What is the InChIKey of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
The InChIKey is QRBXMDHXFUJAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-11-15-5-2-8-19-16(15)21-9-6-13(7-10-21)12-20-17(22)14-3-1-4-14/h2,5,8,13-14H,1,3-4,6-7,9-10,12H2,(H,20,22).
What are the key properties of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 121108857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).