2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one

C15H29N3O — CID 104689975

IUPAC2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCCC1CCCCCN1C(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H29N3O/c1-3-14-7-5-4-6-10-18(14)13(2)15(19)17-11-8-16-9-12-17/h13-14,16H,3-12H2,1-2H3
InChIKeyKVADQTLSKRAKBX-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds3

About 2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one

2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 104689975) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID104689975
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCCC1CCCCCN1C(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H29N3O/c1-3-14-7-5-4-6-10-18(14)13(2)15(19)17-11-8-16-9-12-17/h13-14,16H,3-12H2,1-2H3
InChIKeyKVADQTLSKRAKBX-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 24693532
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 63760688
2-(2-ethylpiperidin-1-yl)propanoyl chloride
CID 82040582
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 65320423
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
CID 82511384
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one (CID 104689975) is 2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one is CCC1CCCCCN1C(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is KVADQTLSKRAKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-14-7-5-4-6-10-18(14)13(2)15(19)17-11-8-16-9-12-17/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one?
2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 104689975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).