6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C18H23N5O2 — CID 75461915

IUPAC6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(=O)N1CCC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1
InChIInChI=1S/C18H23N5O2/c1-14(24)21-6-4-16(5-7-21)18(25)23-10-8-22(9-11-23)17-3-2-15(12-19)13-20-17/h2-3,13,16H,4-11H2,1H3
InChIKeyMFPOGSOLXVEATA-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.86
Rot. Bonds2

About 6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 75461915) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID75461915
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(=O)N1CCC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1
InChIInChI=1S/C18H23N5O2/c1-14(24)21-6-4-16(5-7-21)18(25)23-10-8-22(9-11-23)17-3-2-15(12-19)13-20-17/h2-3,13,16H,4-11H2,1H3
InChIKeyMFPOGSOLXVEATA-UHFFFAOYSA-N
XLogP0.86
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645072
6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
CID 138049082
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56820268
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
CID 155770067
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 165434752

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 75461915) is 6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is CC(=O)N1CCC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1.
What is the InChIKey of 6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is MFPOGSOLXVEATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14(24)21-6-4-16(5-7-21)18(25)23-10-8-22(9-11-23)17-3-2-15(12-19)13-20-17/h2-3,13,16H,4-11H2,1H3.
What are the key properties of 6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 341.42 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 75461915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).