2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide

C17H25N3O2 — CID 108922439

IUPAC2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide
SMILESC/C(=C\C(=O)N1CCC(NC(=O)CC#N)CC1)C1CCCC1
InChIInChI=1S/C17H25N3O2/c1-13(14-4-2-3-5-14)12-17(22)20-10-7-15(8-11-20)19-16(21)6-9-18/h12,14-15H,2-8,10-11H2,1H3,(H,19,21)/b13-12+
InChIKeyZNZWVRAYGDDXIH-OUKQBFOZSA-N
MW303.41 g/mol
LogP2.14
Rot. Bonds4

About 2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide

2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide (PubChem CID 108922439) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide
PubChem CID108922439
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide
SMILESC/C(=C\C(=O)N1CCC(NC(=O)CC#N)CC1)C1CCCC1
InChIInChI=1S/C17H25N3O2/c1-13(14-4-2-3-5-14)12-17(22)20-10-7-15(8-11-20)19-16(21)6-9-18/h12,14-15H,2-8,10-11H2,1H3,(H,19,21)/b13-12+
InChIKeyZNZWVRAYGDDXIH-OUKQBFOZSA-N
XLogP2.14
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-cyclopropylbut-2-enamide
CID 108922448
N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108933089
2-cyano-N-cyclopentylacetamide
CID 5093205
N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide
CID 108922380
butyl 4-[(2-cyanoacetyl)amino]piperidine-1-carboxylate
CID 108558979
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317
2-cyano-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]acetamide
CID 108922287
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
CID 108922333
3-chloro-N-[1-(2-cyanoacetyl)piperidin-4-yl]propanamide
CID 108563263
2-cyano-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108558978
2-cyano-N-(oxan-4-yl)acetamide
CID 43610224
[3-[[1-[(E)-3-cyclopropylbut-2-enoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927579

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide (CID 108922439) is 2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide is C/C(=C\C(=O)N1CCC(NC(=O)CC#N)CC1)C1CCCC1.
What is the InChIKey of 2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide?
The InChIKey is ZNZWVRAYGDDXIH-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(14-4-2-3-5-14)12-17(22)20-10-7-15(8-11-20)19-16(21)6-9-18/h12,14-15H,2-8,10-11H2,1H3,(H,19,21)/b13-12+.
What are the key properties of 2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide?
2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108922439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).