6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C16H21N5O2 — CID 171493313

IUPAC6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CNCCO1
InChIInChI=1S/C16H21N5O2/c1-16(12-18-4-9-23-16)15(22)21-7-5-20(6-8-21)14-3-2-13(10-17)11-19-14/h2-3,11,18H,4-9,12H2,1H3
InChIKeyRWUGDPTVOZCPBN-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.02
Rot. Bonds2

About 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 171493313) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID171493313
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CNCCO1
InChIInChI=1S/C16H21N5O2/c1-16(12-18-4-9-23-16)15(22)21-7-5-20(6-8-21)14-3-2-13(10-17)11-19-14/h2-3,11,18H,4-9,12H2,1H3
InChIKeyRWUGDPTVOZCPBN-UHFFFAOYSA-N
XLogP-0.02
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-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

6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
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
6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
CID 155770067
4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid
CID 67325965
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56820268

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 171493313) is 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is CC1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CNCCO1.
What is the InChIKey of 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RWUGDPTVOZCPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-16(12-18-4-9-23-16)15(22)21-7-5-20(6-8-21)14-3-2-13(10-17)11-19-14/h2-3,11,18H,4-9,12H2,1H3.
What are the key properties of 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171493313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).