cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone

C15H26N2O2 — CID 110196396

IUPACcyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H26N2O2/c18-15(14-3-4-14)17-6-1-2-13(5-7-17)12-16-8-10-19-11-9-16/h13-14H,1-12H2
InChIKeyNFDSQZSUBWDFFR-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.36
Rot. Bonds3

About cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone

cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone (PubChem CID 110196396) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
PubChem CID110196396
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Namecyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H26N2O2/c18-15(14-3-4-14)17-6-1-2-13(5-7-17)12-16-8-10-19-11-9-16/h13-14H,1-12H2
InChIKeyNFDSQZSUBWDFFR-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone (CID 110196396) is cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone is O=C(C1CC1)N1CCCC(CN2CCOCC2)CC1.
What is the InChIKey of cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
The InChIKey is NFDSQZSUBWDFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(14-3-4-14)17-6-1-2-13(5-7-17)12-16-8-10-19-11-9-16/h13-14H,1-12H2.
What are the key properties of cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone?
cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone has a molecular weight of 266.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(morpholin-4-ylmethyl)azepan-1-yl]methanone is sourced from PubChem (CID 110196396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).