1,4-diazepan-1-yl(morpholin-4-yl)methanone

C10H19N3O2 — CID 10901032

IUPAC1,4-diazepan-1-yl(morpholin-4-yl)methanone
SMILESO=C(N1CCCNCC1)N1CCOCC1
InChIInChI=1S/C10H19N3O2/c14-10(13-6-8-15-9-7-13)12-4-1-2-11-3-5-12/h11H,1-9H2
InChIKeyWXXQZLURQMTYMJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.27
Rot. Bonds

About 1,4-diazepan-1-yl(morpholin-4-yl)methanone

1,4-diazepan-1-yl(morpholin-4-yl)methanone (PubChem CID 10901032) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1,4-diazepan-1-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl(morpholin-4-yl)methanone
PubChem CID10901032
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1,4-diazepan-1-yl(morpholin-4-yl)methanone
SMILESO=C(N1CCCNCC1)N1CCOCC1
InChIInChI=1S/C10H19N3O2/c14-10(13-6-8-15-9-7-13)12-4-1-2-11-3-5-12/h11H,1-9H2
InChIKeyWXXQZLURQMTYMJ-UHFFFAOYSA-N
XLogP-0.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butyl-3-(2-morpholinoethyl)urea
CID 1632256
1-Ethyl-3-(2-morpholinoethyl)urea
CID 307328
N-(3-ethoxypropyl)morpholine-4-carboxamide
CID 2180707
N-(2-aminoethyl)morpholine-4-carboxamide hydrochloride
CID 21289595
N-(2-Aminoethyl)-4-morpholinecarboxamide
CID 11041198
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
2-(morpholin-4-ylmethyl)-N-propan-2-ylazepane-1-carboxamide
CID 110196377
2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide
CID 110196378
(2R)-N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 164636175
1-Methyl-3-(2-morpholinoethyl)urea
CID 16645811
4-(Butylcarbamoyl)morpholine
CID 4345774

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl(morpholin-4-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl(morpholin-4-yl)methanone (CID 10901032) is 1,4-diazepan-1-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl(morpholin-4-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl(morpholin-4-yl)methanone is O=C(N1CCCNCC1)N1CCOCC1.
What is the InChIKey of 1,4-diazepan-1-yl(morpholin-4-yl)methanone?
The InChIKey is WXXQZLURQMTYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c14-10(13-6-8-15-9-7-13)12-4-1-2-11-3-5-12/h11H,1-9H2.
What are the key properties of 1,4-diazepan-1-yl(morpholin-4-yl)methanone?
1,4-diazepan-1-yl(morpholin-4-yl)methanone has a molecular weight of 213.28 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 10901032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).