6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile

C18H24N4O — CID 17449663

IUPAC6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCC1CCCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1
InChIInChI=1S/C18H24N4O/c1-14-3-2-8-22(13-14)18(23)16-6-9-21(10-7-16)17-5-4-15(11-19)12-20-17/h4-5,12,14,16H,2-3,6-10,13H2,1H3
InChIKeyJXMGBCWYKKMXFA-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.43
Rot. Bonds2

About 6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile

6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 17449663) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID17449663
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCC1CCCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1
InChIInChI=1S/C18H24N4O/c1-14-3-2-8-22(13-14)18(23)16-6-9-21(10-7-16)17-5-4-15(11-19)12-20-17/h4-5,12,14,16H,2-3,6-10,13H2,1H3
InChIKeyJXMGBCWYKKMXFA-UHFFFAOYSA-N
XLogP2.43
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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

6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
CID 138049082
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
6-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645072
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150120
6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 165434752
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335504

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 17449663) is 6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile is CC1CCCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1.
What is the InChIKey of 6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is JXMGBCWYKKMXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-3-2-8-22(13-14)18(23)16-6-9-21(10-7-16)17-5-4-15(11-19)12-20-17/h4-5,12,14,16H,2-3,6-10,13H2,1H3.
What are the key properties of 6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 312.42 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 17449663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).