2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone

C18H31NO — CID 155743321

IUPAC2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone
SMILESCC/C=C\CC1C(C)CCC1CC(=O)C1CCNCC1
InChIInChI=1S/C18H31NO/c1-3-4-5-6-17-14(2)7-8-16(17)13-18(20)15-9-11-19-12-10-15/h4-5,14-17,19H,3,6-13H2,1-2H3/b5-4-
InChIKeyYMKYVOHXVVZSKV-PLNGDYQASA-N
MW277.45 g/mol
LogP3.96
Rot. Bonds6

About 2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone

2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone (PubChem CID 155743321) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone
PubChem CID155743321
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone
SMILESCC/C=C\CC1C(C)CCC1CC(=O)C1CCNCC1
InChIInChI=1S/C18H31NO/c1-3-4-5-6-17-14(2)7-8-16(17)13-18(20)15-9-11-19-12-10-15/h4-5,14-17,19H,3,6-13H2,1-2H3/b5-4-
InChIKeyYMKYVOHXVVZSKV-PLNGDYQASA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate
CID 72593148
2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane
CID 90951221
methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate
CID 74005258
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone
CID 116559958
2-(diethylamino)-1-piperidin-4-ylethanone
CID 115006957
3-ethyl-5-methoxy-N-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1H-indole-2-carboxamide
CID 101090835
2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate
CID 155075694
[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129499446
[(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
CID 14717259
N-[(2-methylcyclopropyl)methyl]piperidine-4-carboxamide
CID 115733780
4-methyl-1-piperidin-4-ylpent-4-en-1-one
CID 114477846

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone?
The IUPAC name of 2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone (CID 155743321) is 2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone?
The canonical SMILES for 2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone is CC/C=C\CC1C(C)CCC1CC(=O)C1CCNCC1.
What is the InChIKey of 2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone?
The InChIKey is YMKYVOHXVVZSKV-PLNGDYQASA-N. The full InChI is InChI=1S/C18H31NO/c1-3-4-5-6-17-14(2)7-8-16(17)13-18(20)15-9-11-19-12-10-15/h4-5,14-17,19H,3,6-13H2,1-2H3/b5-4-.
What are the key properties of 2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone?
2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone has a molecular weight of 277.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone is sourced from PubChem (CID 155743321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).