1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone

C16H30N2O2 — CID 115949324

IUPAC1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C16H30N2O2/c1-13(2)20-12-16(19)18-11-5-3-4-6-15(18)14-7-9-17-10-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyCQAQJDCJHNRKPB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds4

About 1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone

1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone (PubChem CID 115949324) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone
PubChem CID115949324
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C16H30N2O2/c1-13(2)20-12-16(19)18-11-5-3-4-6-15(18)14-7-9-17-10-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyCQAQJDCJHNRKPB-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 112603375
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
CID 173143766
1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603247
2-ethyl-1-(2-piperidin-4-ylazepan-1-yl)butan-1-one
CID 64611265
2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394797
1-[2-(chloromethyl)azepan-1-yl]-2-propan-2-yloxyethanone
CID 116639008
N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195
tert-butyl 2-piperidin-4-ylazepane-1-carboxylate
CID 64612498
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-propan-2-yloxyethanone
CID 112603248
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one
CID 103019657

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone (CID 115949324) is 1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCCCCC1C1CCNCC1.
What is the InChIKey of 1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone?
The InChIKey is CQAQJDCJHNRKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)20-12-16(19)18-11-5-3-4-6-15(18)14-7-9-17-10-8-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone?
1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone has a molecular weight of 282.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 115949324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).