1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one

C17H32N2O — CID 119794906

IUPAC1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
SMILESCCC1CCCN(C(=O)CC(C)C2CCNCC2)CC1
InChIInChI=1S/C17H32N2O/c1-3-15-5-4-11-19(12-8-15)17(20)13-14(2)16-6-9-18-10-7-16/h14-16,18H,3-13H2,1-2H3
InChIKeyVLJYMPZUISYPRI-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one

1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one (PubChem CID 119794906) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
PubChem CID119794906
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
SMILESCCC1CCCN(C(=O)CC(C)C2CCNCC2)CC1
InChIInChI=1S/C17H32N2O/c1-3-15-5-4-11-19(12-8-15)17(20)13-14(2)16-6-9-18-10-7-16/h14-16,18H,3-13H2,1-2H3
InChIKeyVLJYMPZUISYPRI-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119852053
1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119786521
1-[3-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119781766
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119859713
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875753
1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119837290
N-methyl-1-(3-piperidin-4-ylbutanoyl)piperidine-3-carboxamide
CID 119783440
3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 119876029
1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119814348
1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119896709
1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119809794

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one (CID 119794906) is 1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one is CCC1CCCN(C(=O)CC(C)C2CCNCC2)CC1.
What is the InChIKey of 1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one?
The InChIKey is VLJYMPZUISYPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-15-5-4-11-19(12-8-15)17(20)13-14(2)16-6-9-18-10-7-16/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one?
1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 119794906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).