N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide

C16H22N2O — CID 172882645

IUPACN-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-14(19)17-16-10-6-12-18(13-16)11-5-9-15-7-3-2-4-8-15/h2-5,7-9,16H,6,10-13H2,1H3,(H,17,19)/b9-5+
InChIKeyABKDHKFQGCEGGL-WEVVVXLNSA-N
MW258.37 g/mol
LogP2.30
Rot. Bonds4

About N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide

N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide (PubChem CID 172882645) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
PubChem CID172882645
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-14(19)17-16-10-6-12-18(13-16)11-5-9-15-7-3-2-4-8-15/h2-5,7-9,16H,6,10-13H2,1H3,(H,17,19)/b9-5+
InChIKeyABKDHKFQGCEGGL-WEVVVXLNSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-3-amine
CID 42463367
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine
CID 63845047
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108942180
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-3-amine
CID 66569635
4-N,4-N-dimethyl-2-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998580

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide (CID 172882645) is N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C/C=C/c2ccccc2)C1.
What is the InChIKey of N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide?
The InChIKey is ABKDHKFQGCEGGL-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H22N2O/c1-14(19)17-16-10-6-12-18(13-16)11-5-9-15-7-3-2-4-8-15/h2-5,7-9,16H,6,10-13H2,1H3,(H,17,19)/b9-5+.
What are the key properties of N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide?
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide has a molecular weight of 258.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 172882645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).