5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile

C17H23N5O — CID 86778895

IUPAC5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCC(C(=O)N1CCCC1)N1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C17H23N5O/c1-14(17(23)22-6-2-3-7-22)20-8-10-21(11-9-20)16-5-4-15(12-18)19-13-16/h4-5,13-14H,2-3,6-11H2,1H3
InChIKeyOXMCABHVASQGNN-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.09
Rot. Bonds3

About 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile

5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 86778895) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID86778895
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCC(C(=O)N1CCCC1)N1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C17H23N5O/c1-14(17(23)22-6-2-3-7-22)20-8-10-21(11-9-20)16-5-4-15(12-18)19-13-16/h4-5,13-14H,2-3,6-11H2,1H3
InChIKeyOXMCABHVASQGNN-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

Analyze 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 97055762
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]pyridine-2-carbonitrile
CID 133335172
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,4-diazepan-1-yl]benzonitrile
CID 56815669
5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 86793175
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724
5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 163356288
5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 167910514
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 86778895) is 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile is CC(C(=O)N1CCCC1)N1CCN(c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is OXMCABHVASQGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14(17(23)22-6-2-3-7-22)20-8-10-21(11-9-20)16-5-4-15(12-18)19-13-16/h4-5,13-14H,2-3,6-11H2,1H3.
What are the key properties of 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-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 5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 86778895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).