[1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

C20H27N5O2 — CID 89487762

IUPAC[1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESN#Cc1cccnc1N1CCC(OC(=O)N2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C20H27N5O2/c21-15-16-3-2-8-22-19(16)24-9-6-18(7-10-24)27-20(26)25-13-11-23(12-14-25)17-4-1-5-17/h2-3,8,17-18H,1,4-7,9-14H2
InChIKeyRDDUWMRRGWYYRH-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.23
Rot. Bonds3

About [1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

[1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 89487762) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
PubChem CID89487762
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESN#Cc1cccnc1N1CCC(OC(=O)N2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C20H27N5O2/c21-15-16-3-2-8-22-19(16)24-9-6-18(7-10-24)27-20(26)25-13-11-23(12-14-25)17-4-1-5-17/h2-3,8,17-18H,1,4-7,9-14H2
InChIKeyRDDUWMRRGWYYRH-UHFFFAOYSA-N
XLogP2.23
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate
CID 71523156
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
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-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335548
2-[4-[2-[(2S)-oxolan-2-yl]acetyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 94625700
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 163350288
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of [1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (CID 89487762) is [1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for [1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is N#Cc1cccnc1N1CCC(OC(=O)N2CCN(C3CCC3)CC2)CC1.
What is the InChIKey of [1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is RDDUWMRRGWYYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c21-15-16-3-2-8-22-19(16)24-9-6-18(7-10-24)27-20(26)25-13-11-23(12-14-25)17-4-1-5-17/h2-3,8,17-18H,1,4-7,9-14H2.
What are the key properties of [1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
[1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 369.47 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 89487762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).