N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide

C15H28N2O — CID 95207973

IUPACN-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide
SMILESCC/C=C(\C)CN1CCC[C@@H](CCNC(C)=O)C1
InChIInChI=1S/C15H28N2O/c1-4-6-13(2)11-17-10-5-7-15(12-17)8-9-16-14(3)18/h6,15H,4-5,7-12H2,1-3H3,(H,16,18)/b13-6+/t15-/m0/s1
InChIKeyRLKJTWOUNDOAFN-NNSJBKGDSA-N
MW252.40 g/mol
LogP2.58
Rot. Bonds6

About N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide

N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide (PubChem CID 95207973) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide
PubChem CID95207973
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide
SMILESCC/C=C(\C)CN1CCC[C@@H](CCNC(C)=O)C1
InChIInChI=1S/C15H28N2O/c1-4-6-13(2)11-17-10-5-7-15(12-17)8-9-16-14(3)18/h6,15H,4-5,7-12H2,1-3H3,(H,16,18)/b13-6+/t15-/m0/s1
InChIKeyRLKJTWOUNDOAFN-NNSJBKGDSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56716835
N-ethyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60645129
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
CID 63848807
N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 56741459
N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide
CID 155154969
4-[3-(methoxymethyl)piperidin-1-yl]-3-methylbut-2-enoic acid
CID 106587562
N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
CID 95210015
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
methyl 4-[[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 62358151
N-[[(3R)-1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 164638875
N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95200151
N-(2-ethoxyethyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 111974917

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide (CID 95207973) is N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide is CC/C=C(\C)CN1CCC[C@@H](CCNC(C)=O)C1.
What is the InChIKey of N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide?
The InChIKey is RLKJTWOUNDOAFN-NNSJBKGDSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-6-13(2)11-17-10-5-7-15(12-17)8-9-16-14(3)18/h6,15H,4-5,7-12H2,1-3H3,(H,16,18)/b13-6+/t15-/m0/s1.
What are the key properties of N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide?
N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide has a molecular weight of 252.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 95207973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).