1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one

C14H26N2O2 — CID 55251949

IUPAC1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)N1CCCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(16-10-3-1-2-4-11-16)7-12-18-13-5-8-15-9-6-13/h13,15H,1-12H2
InChIKeyIZZOWWZUSSLMMV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds4

About 1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one

1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 55251949) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
PubChem CID55251949
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)N1CCCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(16-10-3-1-2-4-11-16)7-12-18-13-5-8-15-9-6-13/h13,15H,1-12H2
InChIKeyIZZOWWZUSSLMMV-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylazepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63904324
1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251851
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-piperidin-4-yloxypropan-1-one
CID 63875294
3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115905128
1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63902985
1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
CID 62327566
4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile
CID 79674139
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one
CID 63905461
2-cyclopentyloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119402733
cyclopentyl 3-piperidin-4-yloxypropanoate
CID 55252240
3-piperidin-4-yloxy-N-(2-piperidin-1-ylpropyl)propanamide
CID 63877201
3-methyl-4-(3-piperidin-4-yloxypropanoyl)piperazin-2-one
CID 55251248

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one (CID 55251949) is 1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one is O=C(CCOC1CCNCC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is IZZOWWZUSSLMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-14(16-10-3-1-2-4-11-16)7-12-18-13-5-8-15-9-6-13/h13,15H,1-12H2.
What are the key properties of 1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one?
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 55251949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).