N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide

C20H32N4O — CID 86773522

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C20H32N4O/c1-16(20(25)21-11-8-17-6-4-3-5-7-17)24-12-9-18(10-13-24)19-14-22-23(2)15-19/h6,14-16,18H,3-5,7-13H2,1-2H3,(H,21,25)
InChIKeyOZRHNQDONKUACH-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide (PubChem CID 86773522) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide
PubChem CID86773522
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C20H32N4O/c1-16(20(25)21-11-8-17-6-4-3-5-7-17)24-12-9-18(10-13-24)19-14-22-23(2)15-19/h6,14-16,18H,3-5,7-13H2,1-2H3,(H,21,25)
InChIKeyOZRHNQDONKUACH-UHFFFAOYSA-N
XLogP2.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622437
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289768
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95610834
(2R)-2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8596856
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propanamide
CID 97214771
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32753435
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 134045449
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
CID 95750296
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8723967
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8689455

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide (CID 86773522) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide is CC(C(=O)NCCC1=CCCCC1)N1CCC(c2cnn(C)c2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide?
The InChIKey is OZRHNQDONKUACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(20(25)21-11-8-17-6-4-3-5-7-17)24-12-9-18(10-13-24)19-14-22-23(2)15-19/h6,14-16,18H,3-5,7-13H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide has a molecular weight of 344.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 86773522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).