(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone

C16H31N3O — CID 114428788

IUPAC(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
SMILESCCC1CCNC(C(=O)N2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H31N3O/c1-5-13-6-7-17-14(12-13)15(20)18-8-10-19(11-9-18)16(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyMWCSFFKUJRBAGW-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds2

About (4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone

(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone (PubChem CID 114428788) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
PubChem CID114428788
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
SMILESCCC1CCNC(C(=O)N2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H31N3O/c1-5-13-6-7-17-14(12-13)15(20)18-8-10-19(11-9-18)16(2,3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyMWCSFFKUJRBAGW-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428893
(4-tert-butylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103814108
(4-tert-butylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61430596
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 114429479
3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
CID 114428966
4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
CID 114428986
(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220216
(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 114428564
(4-ethylpiperidin-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 114429590
3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114429367
1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114428989
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-ethylpiperidin-2-yl)methanone
CID 114428837

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone (CID 114428788) is (4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone is CCC1CCNC(C(=O)N2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone?
The InChIKey is MWCSFFKUJRBAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-13-6-7-17-14(12-13)15(20)18-8-10-19(11-9-18)16(2,3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of (4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone?
(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone is sourced from PubChem (CID 114428788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).