[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane

C24H44N2O — CID 144801733

IUPAC[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
SMILESCC.CC.CCCN(CCC)C1CCN(C(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C20H32N2O.2C2H6/c1-4-13-21(14-5-2)19-11-15-22(16-12-19)20(23)18-9-7-17(6-3)8-10-18;2*1-2/h7-10,19H,4-6,11-16H2,1-3H3;2*1-2H3
InChIKeyFSGNIQUDLXJHDC-UHFFFAOYSA-N
MW376.63 g/mol
LogP6.03
Rot. Bonds7

About [4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane

[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane (PubChem CID 144801733) has the molecular formula C24H44N2O and a molecular weight of 376.63 g/mol. Its IUPAC name is [4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane.

Molecular Properties

Compound Name[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
PubChem CID144801733
Molecular FormulaC24H44N2O
Molecular Weight376.63 g/mol
Exact Mass376.35
IUPAC Name[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
SMILESCC.CC.CCCN(CCC)C1CCN(C(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C20H32N2O.2C2H6/c1-4-13-21(14-5-2)19-11-15-22(16-12-19)20(23)18-9-7-17(6-3)8-10-18;2*1-2/h7-10,19H,4-6,11-16H2,1-3H3;2*1-2H3
InChIKeyFSGNIQUDLXJHDC-UHFFFAOYSA-N
XLogP6.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
CID 43795468
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
[4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone
CID 75472621
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid
CID 119183312
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975159
octyl 1-(4-ethylbenzoyl)piperidine-4-carboxylate
CID 91737596
1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
CID 46335587
(4-methylphenyl)-[4-[pentan-3-yl(propyl)amino]piperidin-1-yl]methanone
CID 143760162

Frequently Asked Questions

What is the IUPAC name of [4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane?
The IUPAC name of [4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane (CID 144801733) is [4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane.
What is the SMILES notation for [4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane?
The canonical SMILES for [4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane is CC.CC.CCCN(CCC)C1CCN(C(=O)c2ccc(CC)cc2)CC1.
What is the InChIKey of [4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane?
The InChIKey is FSGNIQUDLXJHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.2C2H6/c1-4-13-21(14-5-2)19-11-15-22(16-12-19)20(23)18-9-7-17(6-3)8-10-18;2*1-2/h7-10,19H,4-6,11-16H2,1-3H3;2*1-2H3.
What are the key properties of [4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane?
[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane has a molecular weight of 376.63 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane is sourced from PubChem (CID 144801733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).