(2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide

C16H18N4O — CID 94017899

IUPAC(2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide
SMILESN#Cc1c(CN2CCCC[C@@H]2C(N)=O)cn2ccccc12
InChIInChI=1S/C16H18N4O/c17-9-13-12(10-19-7-3-1-5-14(13)19)11-20-8-4-2-6-15(20)16(18)21/h1,3,5,7,10,15H,2,4,6,8,11H2,(H2,18,21)/t15-/m1/s1
InChIKeyAKHJZPSPSOQTTO-OAHLLOKOSA-N
MW282.35 g/mol
LogP1.65
Rot. Bonds3

About (2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide

(2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 94017899) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide
PubChem CID94017899
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide
SMILESN#Cc1c(CN2CCCC[C@@H]2C(N)=O)cn2ccccc12
InChIInChI=1S/C16H18N4O/c17-9-13-12(10-19-7-3-1-5-14(13)19)11-20-8-4-2-6-15(20)16(18)21/h1,3,5,7,10,15H,2,4,6,8,11H2,(H2,18,21)/t15-/m1/s1
InChIKeyAKHJZPSPSOQTTO-OAHLLOKOSA-N
XLogP1.65
TPSA74.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)indolizine-1-carbonitrile
CID 71899945
2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 95613093
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 62469250
(2S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 95173777
2-[(4-formylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 62653943
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
methyl (2S)-2-[1-[(1-cyanoindolizin-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238831
2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile
CID 62673499
2-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 42933944
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
CID 107113264
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 79867743

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide (CID 94017899) is (2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide is N#Cc1c(CN2CCCC[C@@H]2C(N)=O)cn2ccccc12.
What is the InChIKey of (2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is AKHJZPSPSOQTTO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N4O/c17-9-13-12(10-19-7-3-1-5-14(13)19)11-20-8-4-2-6-15(20)16(18)21/h1,3,5,7,10,15H,2,4,6,8,11H2,(H2,18,21)/t15-/m1/s1.
What are the key properties of (2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide?
(2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 94017899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).