[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone

C17H33N3O — CID 114507042

IUPAC[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCCNC1CCN(C(=O)N2CCC(C)CC2)CC1CC
InChIInChI=1S/C17H33N3O/c1-4-9-18-16-8-12-20(13-15(16)5-2)17(21)19-10-6-14(3)7-11-19/h14-16,18H,4-13H2,1-3H3
InChIKeyWVFWDMUVZDINTQ-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.94
Rot. Bonds4

About [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone

[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 114507042) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID114507042
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCCNC1CCN(C(=O)N2CCC(C)CC2)CC1CC
InChIInChI=1S/C17H33N3O/c1-4-9-18-16-8-12-20(13-15(16)5-2)17(21)19-10-6-14(3)7-11-19/h14-16,18H,4-13H2,1-3H3
InChIKeyWVFWDMUVZDINTQ-UHFFFAOYSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206
2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114506917
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 114506968
[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510164
(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
CID 102801020
2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 114507702
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
CID 114506999
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
N-(2-ethylcyclopropyl)-4-methylpiperidine-1-carboxamide
CID 103878354
3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol
CID 114507604
[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498726

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone (CID 114507042) is [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone is CCCNC1CCN(C(=O)N2CCC(C)CC2)CC1CC.
What is the InChIKey of [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WVFWDMUVZDINTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-9-18-16-8-12-20(13-15(16)5-2)17(21)19-10-6-14(3)7-11-19/h14-16,18H,4-13H2,1-3H3.
What are the key properties of [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone?
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 295.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114507042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).