2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone

C17H30N2O — CID 89008831

IUPAC2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone
SMILESCCC1(CC(=O)N2CCC(CCN=C(C)C)CC2)CC1
InChIInChI=1S/C17H30N2O/c1-4-17(8-9-17)13-16(20)19-11-6-15(7-12-19)5-10-18-14(2)3/h15H,4-13H2,1-3H3
InChIKeyVDJRJQFICNVRSI-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.68
Rot. Bonds6

About 2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone

2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone (PubChem CID 89008831) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone
PubChem CID89008831
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone
SMILESCCC1(CC(=O)N2CCC(CCN=C(C)C)CC2)CC1
InChIInChI=1S/C17H30N2O/c1-4-17(8-9-17)13-16(20)19-11-6-15(7-12-19)5-10-18-14(2)3/h15H,4-13H2,1-3H3
InChIKeyVDJRJQFICNVRSI-UHFFFAOYSA-N
XLogP3.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylpiperidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107024403
2-(1-aminocyclopentyl)-1-(4-propylpiperidin-1-yl)ethanone
CID 64677432
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone
CID 104678660
1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone
CID 145317122
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163435
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 58975937
1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 166753074
2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
CID 81172458
3-(1-butanoylpiperidin-4-yl)propanamide
CID 166192887

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone (CID 89008831) is 2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone is CCC1(CC(=O)N2CCC(CCN=C(C)C)CC2)CC1.
What is the InChIKey of 2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone?
The InChIKey is VDJRJQFICNVRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-17(8-9-17)13-16(20)19-11-6-15(7-12-19)5-10-18-14(2)3/h15H,4-13H2,1-3H3.
What are the key properties of 2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone?
2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone has a molecular weight of 278.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopropyl)-1-[4-[2-(propan-2-ylideneamino)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 89008831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).