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

C18H24N4O — CID 171335548

IUPACN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
SMILESCN(CC1CCN(c2ncccc2C#N)CC1)C(=O)C1CCC1
InChIInChI=1S/C18H24N4O/c1-21(18(23)15-4-2-5-15)13-14-7-10-22(11-8-14)17-16(12-19)6-3-9-20-17/h3,6,9,14-15H,2,4-5,7-8,10-11,13H2,1H3
InChIKeyIVPOKBMDTQKWIB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.43
Rot. Bonds4

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

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide (PubChem CID 171335548) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
PubChem CID171335548
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
SMILESCN(CC1CCN(c2ncccc2C#N)CC1)C(=O)C1CCC1
InChIInChI=1S/C18H24N4O/c1-21(18(23)15-4-2-5-15)13-14-7-10-22(11-8-14)17-16(12-19)6-3-9-20-17/h3,6,9,14-15H,2,4-5,7-8,10-11,13H2,1H3
InChIKeyIVPOKBMDTQKWIB-UHFFFAOYSA-N
XLogP2.43
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide
CID 171335899
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335629
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368
2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66879804
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(dimethylamino)benzamide
CID 72716920
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 95378636

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide (CID 171335548) is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide is CN(CC1CCN(c2ncccc2C#N)CC1)C(=O)C1CCC1.
What is the InChIKey of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
The InChIKey is IVPOKBMDTQKWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(18(23)15-4-2-5-15)13-14-7-10-22(11-8-14)17-16(12-19)6-3-9-20-17/h3,6,9,14-15H,2,4-5,7-8,10-11,13H2,1H3.
What are the key properties of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide?
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 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]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 171335548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).