ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate

C19H27N5O2 — CID 56882105

IUPACethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCCN(c3nc(C)ccc3C#N)C2)CC1
InChIInChI=1S/C19H27N5O2/c1-3-26-19(25)23-11-9-22(10-12-23)17-5-4-8-24(14-17)18-16(13-20)7-6-15(2)21-18/h6-7,17H,3-5,8-12,14H2,1-2H3
InChIKeyCYRNGHCEVQDBQQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.00
Rot. Bonds3

About ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate

ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 56882105) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate
PubChem CID56882105
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Nameethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCCN(c3nc(C)ccc3C#N)C2)CC1
InChIInChI=1S/C19H27N5O2/c1-3-26-19(25)23-11-9-22(10-12-23)17-5-4-8-24(14-17)18-16(13-20)7-6-15(2)21-18/h6-7,17H,3-5,8-12,14H2,1-2H3
InChIKeyCYRNGHCEVQDBQQ-UHFFFAOYSA-N
XLogP2.00
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate 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

2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 63253194
pent-4-ynyl 1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 75375987
N-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166602579
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
ethyl 4-[(3R)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]piperazine-1-carboxylate
CID 29214380
[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
CID 144625430
6-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 125141410
1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431329
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
ethyl 4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45221664
ethyl 4-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42286032

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate (CID 56882105) is ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C2CCCN(c3nc(C)ccc3C#N)C2)CC1.
What is the InChIKey of ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate?
The InChIKey is CYRNGHCEVQDBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-26-19(25)23-11-9-22(10-12-23)17-5-4-8-24(14-17)18-16(13-20)7-6-15(2)21-18/h6-7,17H,3-5,8-12,14H2,1-2H3.
What are the key properties of ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate?
ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate has a molecular weight of 357.46 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 56882105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).