3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one

C14H26N2O2 — CID 112549732

IUPAC3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNC1CCCOCC1)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(16-9-2-1-3-10-16)6-8-15-13-5-4-11-18-12-7-13/h13,15H,1-12H2
InChIKeyIQTYZEHCNHZENB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds4

About 3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one

3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 112549732) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID112549732
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNC1CCCOCC1)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(16-9-2-1-3-10-16)6-8-15-13-5-4-11-18-12-7-13/h13,15H,1-12H2
InChIKeyIQTYZEHCNHZENB-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

3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
CID 43610166
1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
CID 114817889
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411272
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109013639
1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one
CID 115713495
1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one
CID 103991051
3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64593683
1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
CID 79724661
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 115584441
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504

Frequently Asked Questions

What is the IUPAC name of 3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one (CID 112549732) is 3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one is O=C(CCNC1CCCOCC1)N1CCCCC1.
What is the InChIKey of 3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is IQTYZEHCNHZENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-14(16-9-2-1-3-10-16)6-8-15-13-5-4-11-18-12-7-13/h13,15H,1-12H2.
What are the key properties of 3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one?
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-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 3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112549732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).