3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide

C22H37N3O2 — CID 45205673

IUPAC3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)C2=CCCCC2)CC1
InChIInChI=1S/C22H37N3O2/c1-2-24-14-6-9-20(24)17-23-21(26)11-10-18-12-15-25(16-13-18)22(27)19-7-4-3-5-8-19/h7,18,20H,2-6,8-17H2,1H3,(H,23,26)
InChIKeyAPVYHDKHAVSYFF-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.11
Rot. Bonds7

About 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide

3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 45205673) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
PubChem CID45205673
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)C2=CCCCC2)CC1
InChIInChI=1S/C22H37N3O2/c1-2-24-14-6-9-20(24)17-23-21(26)11-10-18-12-15-25(16-13-18)22(27)19-7-4-3-5-8-19/h7,18,20H,2-6,8-17H2,1H3,(H,23,26)
InChIKeyAPVYHDKHAVSYFF-UHFFFAOYSA-N
XLogP3.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(cyclopent-1-en-1-ylcarbonyl)-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 16190945
N-[[(1S,4S,6S)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
CID 38026924
3-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-N-cyclopropylpropanamide
CID 25446369
N-[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}cyclohexanecarboxamide
CID 56701806
(E)-3-[(5Z,7Z)-7-ethyl-3,4-dihydro-2H-stibonin-8-yl]-N-[1-[4-(4-fluorocyclohexa-2,4-dien-1-yl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]-2-methylprop-2-enamide
CID 144647345
4,6-difluoro-2-(2-methyl-6-oxopiperidin-3-yl)-5-piperazin-1-yl-3a,4,5,6-tetrahydro-3H-isoindol-1-one
CID 163480214
4-tert-butyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1-carboxamide
CID 139236146
3-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-cyclopropylpropanamide
CID 26402973
N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-1-cyclohexene-1-carboxamide
CID 45251974
N-[2-(cyclopentene-1-carbonylamino)-4-methylpentyl]cyclopentene-1-carboxamide
CID 71851177
N-[(3S,4R)-1-acetyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-(cyclohexen-1-yl)acetamide
CID 91923208
N-[1-[[(E)-2,5-dimethyl-6-(3-methylpiperidin-1-yl)-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 21031606

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide (CID 45205673) is 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)C2=CCCCC2)CC1.
What is the InChIKey of 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is APVYHDKHAVSYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-2-24-14-6-9-20(24)17-23-21(26)11-10-18-12-15-25(16-13-18)22(27)19-7-4-3-5-8-19/h7,18,20H,2-6,8-17H2,1H3,(H,23,26).
What are the key properties of 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide?
3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide has a molecular weight of 375.56 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 45205673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).