phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate

C17H16N4O2 — CID 51278531

IUPACphenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
SMILESN#Cc1cccnc1N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C17H16N4O2/c18-13-14-5-4-8-19-16(14)20-9-11-21(12-10-20)17(22)23-15-6-2-1-3-7-15/h1-8H,9-12H2
InChIKeyDJHPCUIZGGYOCF-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.27
Rot. Bonds2

About phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate

phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 51278531) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
PubChem CID51278531
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Namephenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
SMILESN#Cc1cccnc1N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C17H16N4O2/c18-13-14-5-4-8-19-16(14)20-9-11-21(12-10-20)17(22)23-15-6-2-1-3-7-15/h1-8H,9-12H2
InChIKeyDJHPCUIZGGYOCF-UHFFFAOYSA-N
XLogP2.27
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-[4-(1-methyl-5-phenylpyrrole-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 77085610
2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 11741241
2-[4-(5-nitro-2-phenoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55759471
4-[4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]benzamide
CID 56545856
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110397273
phenyl 4-(2-cyanoacetyl)piperazine-1-carboxylate
CID 108567480
2-[4-[2-[4-(3-cyano-2-pyridinyl)-1,4-diazepane-1-carbonyl]cyclopropanecarbonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 166194097
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
[1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487762
2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55456082

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate (CID 51278531) is phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate is N#Cc1cccnc1N1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is DJHPCUIZGGYOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-13-14-5-4-8-19-16(14)20-9-11-21(12-10-20)17(22)23-15-6-2-1-3-7-15/h1-8H,9-12H2.
What are the key properties of phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate?
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 51278531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).