N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide

C14H21N3O — CID 71980193

IUPACN-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESN#CCN1CCC(CNC(=O)C2CC=CC2)CC1
InChIInChI=1S/C14H21N3O/c15-7-10-17-8-5-12(6-9-17)11-16-14(18)13-3-1-2-4-13/h1-2,12-13H,3-6,8-11H2,(H,16,18)
InChIKeyDEJJYYULQPRGQY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.30
Rot. Bonds4

About N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide

N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 71980193) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide
PubChem CID71980193
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESN#CCN1CCC(CNC(=O)C2CC=CC2)CC1
InChIInChI=1S/C14H21N3O/c15-7-10-17-8-5-12(6-9-17)11-16-14(18)13-3-1-2-4-13/h1-2,12-13H,3-6,8-11H2,(H,16,18)
InChIKeyDEJJYYULQPRGQY-UHFFFAOYSA-N
XLogP1.30
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide (CID 71980193) is N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide is N#CCN1CCC(CNC(=O)C2CC=CC2)CC1.
What is the InChIKey of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is DEJJYYULQPRGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-7-10-17-8-5-12(6-9-17)11-16-14(18)13-3-1-2-4-13/h1-2,12-13H,3-6,8-11H2,(H,16,18).
What are the key properties of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide?
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 71980193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).