(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone

C16H31N3O — CID 63132853

IUPAC(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC(C)N1CCN(C(=O)C2(CC)CCCNC2)CC1
InChIInChI=1S/C16H31N3O/c1-4-14(3)18-9-11-19(12-10-18)15(20)16(5-2)7-6-8-17-13-16/h14,17H,4-13H2,1-3H3
InChIKeySWDLABQMHPEWFL-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds4

About (4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone

(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone (PubChem CID 63132853) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
PubChem CID63132853
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC(C)N1CCN(C(=O)C2(CC)CCCNC2)CC1
InChIInChI=1S/C16H31N3O/c1-4-14(3)18-9-11-19(12-10-18)15(20)16(5-2)7-6-8-17-13-16/h14,17H,4-13H2,1-3H3
InChIKeySWDLABQMHPEWFL-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
(4-butan-2-ylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63142306
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63132819
(4-butan-2-ylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980599
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
[1-(aminomethyl)cyclopropyl]-(4-butan-2-ylpiperazin-1-yl)methanone
CID 80588050
3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 63131690
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63163762
(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130238

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
The IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone (CID 63132853) is (4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
The canonical SMILES for (4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone is CCC(C)N1CCN(C(=O)C2(CC)CCCNC2)CC1.
What is the InChIKey of (4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
The InChIKey is SWDLABQMHPEWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-14(3)18-9-11-19(12-10-18)15(20)16(5-2)7-6-8-17-13-16/h14,17H,4-13H2,1-3H3.
What are the key properties of (4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone?
(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone is sourced from PubChem (CID 63132853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).