N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide

C14H21N3O3 — CID 108922104

IUPACN-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESN#CCC(=O)N1CCC(CNC(=O)C2CCCO2)CC1
InChIInChI=1S/C14H21N3O3/c15-6-3-13(18)17-7-4-11(5-8-17)10-16-14(19)12-2-1-9-20-12/h11-12H,1-5,7-10H2,(H,16,19)
InChIKeyZGRONJZYWLYCSO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.43
Rot. Bonds4

About N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide

N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 108922104) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
PubChem CID108922104
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESN#CCC(=O)N1CCC(CNC(=O)C2CCCO2)CC1
InChIInChI=1S/C14H21N3O3/c15-6-3-13(18)17-7-4-11(5-8-17)10-16-14(19)12-2-1-9-20-12/h11-12H,1-5,7-10H2,(H,16,19)
InChIKeyZGRONJZYWLYCSO-UHFFFAOYSA-N
XLogP0.43
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
CID 108922132
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide
CID 108922290
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-methoxypropanamide
CID 108922134
3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 43133331
N-[(4-bromocyclohexyl)methyl]oxane-2-carboxamide
CID 106134208
(E)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3,4,4-trimethylpent-2-enamide
CID 108922316
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 108922214
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 108922184
2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide
CID 108922113
(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 131920373
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
2-bromo-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]benzamide
CID 108921968

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide (CID 108922104) is N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide is N#CCC(=O)N1CCC(CNC(=O)C2CCCO2)CC1.
What is the InChIKey of N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is ZGRONJZYWLYCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-6-3-13(18)17-7-4-11(5-8-17)10-16-14(19)12-2-1-9-20-12/h11-12H,1-5,7-10H2,(H,16,19).
What are the key properties of N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 108922104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).