(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide

C16H22N2O2 — CID 30981483

IUPAC(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide
SMILESCOc1ccccc1/C=C/CN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C16H22N2O2/c1-20-15-9-3-2-6-13(15)7-4-10-18-11-5-8-14(12-18)16(17)19/h2-4,6-7,9,14H,5,8,10-12H2,1H3,(H2,17,19)/b7-4+/t14-/m0/s1
InChIKeyOHVFDYSITWQQEJ-GBXSZLQWSA-N
MW274.36 g/mol
LogP1.91
Rot. Bonds5

About (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide

(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide (PubChem CID 30981483) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide
PubChem CID30981483
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide
SMILESCOc1ccccc1/C=C/CN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C16H22N2O2/c1-20-15-9-3-2-6-13(15)7-4-10-18-11-5-8-14(12-18)16(17)19/h2-4,6-7,9,14H,5,8,10-12H2,1H3,(H2,17,19)/b7-4+/t14-/m0/s1
InChIKeyOHVFDYSITWQQEJ-GBXSZLQWSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide 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

1-[[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125827
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methylpiperazine-2-carboxylic acid
CID 56704200
(3S,4S)-3-(hydroxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 157011117
N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45195444
(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine
CID 95707927
2-[(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735566
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide
CID 42515335
(3aR,5R,6R,7aS)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172672073
[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol
CID 6293793
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide (CID 30981483) is (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide is COc1ccccc1/C=C/CN1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide?
The InChIKey is OHVFDYSITWQQEJ-GBXSZLQWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15-9-3-2-6-13(15)7-4-10-18-11-5-8-14(12-18)16(17)19/h2-4,6-7,9,14H,5,8,10-12H2,1H3,(H2,17,19)/b7-4+/t14-/m0/s1.
What are the key properties of (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide?
(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide is sourced from PubChem (CID 30981483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).