6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile

C17H23N5O — CID 35919863

IUPAC6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(CC(=O)N3CCCCC3)CC2)nc1
InChIInChI=1S/C17H23N5O/c18-12-15-4-5-16(19-13-15)21-10-8-20(9-11-21)14-17(23)22-6-2-1-3-7-22/h4-5,13H,1-3,6-11,14H2
InChIKeySFVIYWAEEVFSAN-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.09
Rot. Bonds3

About 6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 35919863) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID35919863
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(CC(=O)N3CCCCC3)CC2)nc1
InChIInChI=1S/C17H23N5O/c18-12-15-4-5-16(19-13-15)21-10-8-20(9-11-21)14-17(23)22-6-2-1-3-7-22/h4-5,13H,1-3,6-11,14H2
InChIKeySFVIYWAEEVFSAN-UHFFFAOYSA-N
XLogP1.09
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 134051143
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
1-(azepan-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78788182
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 35919031
3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
CID 153358176
6-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56817691
6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 10025889
5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]pyridine-2-carbonitrile
CID 133335172
1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 133489362

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 35919863) is 6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(CC(=O)N3CCCCC3)CC2)nc1.
What is the InChIKey of 6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SFVIYWAEEVFSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c18-12-15-4-5-16(19-13-15)21-10-8-20(9-11-21)14-17(23)22-6-2-1-3-7-22/h4-5,13H,1-3,6-11,14H2.
What are the key properties of 6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 313.40 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 35919863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).