2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide

C14H26N2O — CID 56701855

IUPAC2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide
SMILESCCC/C=C/CN1CCC(CC(=O)NC)CC1
InChIInChI=1S/C14H26N2O/c1-3-4-5-6-9-16-10-7-13(8-11-16)12-14(17)15-2/h5-6,13H,3-4,7-12H2,1-2H3,(H,15,17)/b6-5+
InChIKeyWQWIYQRWQWZCEG-AATRIKPKSA-N
MW238.37 g/mol
LogP2.19
Rot. Bonds6

About 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide

2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 56701855) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide
PubChem CID56701855
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide
SMILESCCC/C=C/CN1CCC(CC(=O)NC)CC1
InChIInChI=1S/C14H26N2O/c1-3-4-5-6-9-16-10-7-13(8-11-16)12-14(17)15-2/h5-6,13H,3-4,7-12H2,1-2H3,(H,15,17)/b6-5+
InChIKeyWQWIYQRWQWZCEG-AATRIKPKSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cambridge id 5427570
CID 2845954
Cambridge id 5424833
CID 5721706
Tetrahydro-3(2h)-isoquinolinone
CID 66922432
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 71980193
2-[1-(2-Methylpent-2-enoyl)piperidin-4-yl]acetamide
CID 72154521
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 125520738
(3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide
CID 164631868
N-methyl-1-prop-2-enylpiperidine-4-carboxamide
CID 130650936
2-piperidin-4-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489853
8-[(4Z)-Hept-4-EN-1-YL]-2,8-diazaspiro[4.5]decan-3-one
CID 50956744
2-[1-(2,2-dimethylpent-4-en-1-yl)piperidin-4-yl]-N-methylacetamide
CID 56707119
6-piperidin-4-yl-1-propan-2-yl-5,6-dihydro-2H-azepin-7-one
CID 110082243

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide (CID 56701855) is 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide is CCC/C=C/CN1CCC(CC(=O)NC)CC1.
What is the InChIKey of 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is WQWIYQRWQWZCEG-AATRIKPKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-4-5-6-9-16-10-7-13(8-11-16)12-14(17)15-2/h5-6,13H,3-4,7-12H2,1-2H3,(H,15,17)/b6-5+.
What are the key properties of 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide?
2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 238.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-hex-2-enyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 56701855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).