2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide

C23H32N2O3 — CID 26409216

IUPAC2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)c(OC2CCN(C[C@@H]3CC=CCC3)CC2)c1
InChIInChI=1S/C23H32N2O3/c1-27-20-9-10-21(23(26)24-18-7-8-18)22(15-20)28-19-11-13-25(14-12-19)16-17-5-3-2-4-6-17/h2-3,9-10,15,17-19H,4-8,11-14,16H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyOLDUBVKWXYGKER-QGZVFWFLSA-N
MW384.52 g/mol
LogP3.79
Rot. Bonds7

About 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide

2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide (PubChem CID 26409216) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide.

Molecular Properties

Compound Name2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide
PubChem CID26409216
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2)c(OC2CCN(C[C@@H]3CC=CCC3)CC2)c1
InChIInChI=1S/C23H32N2O3/c1-27-20-9-10-21(23(26)24-18-7-8-18)22(15-20)28-19-11-13-25(14-12-19)16-17-5-3-2-4-6-17/h2-3,9-10,15,17-19H,4-8,11-14,16H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyOLDUBVKWXYGKER-QGZVFWFLSA-N
XLogP3.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide with MolForge

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Related Compounds

N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide
CID 42564920
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-cyclopropyl-4-methoxy-2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25459724
N-cyclopropyl-4-methoxy-2-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]oxybenzamide
CID 72864995
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 7316736
4-methoxy-N-(2-methoxyethyl)-2-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25458681
4-methoxy-N-(2-methoxyethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72866282
4-methoxy-N-(2-methoxyethyl)-2-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-yl]oxybenzamide
CID 25458744
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 17385000
4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide;(Z)-but-2-enedioic acid
CID 44548035

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide?
The IUPAC name of 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide (CID 26409216) is 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide.
What is the SMILES notation for 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide?
The canonical SMILES for 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide is COc1ccc(C(=O)NC2CC2)c(OC2CCN(C[C@@H]3CC=CCC3)CC2)c1.
What is the InChIKey of 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide?
The InChIKey is OLDUBVKWXYGKER-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-27-20-9-10-21(23(26)24-18-7-8-18)22(15-20)28-19-11-13-25(14-12-19)16-17-5-3-2-4-6-17/h2-3,9-10,15,17-19H,4-8,11-14,16H2,1H3,(H,24,26)/t17-/m1/s1.
What are the key properties of 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide?
2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide has a molecular weight of 384.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]oxy-N-cyclopropyl-4-methoxybenzamide is sourced from PubChem (CID 26409216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).