[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone

C15H26N4O4 — CID 2147527

IUPAC[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H26N4O4/c20-14(18-6-10-22-11-7-18)16-2-1-3-17(5-4-16)15(21)19-8-12-23-13-9-19/h1-13H2
InChIKeyNRMDUTJZTCULJT-UHFFFAOYSA-N
MW326.40 g/mol
LogP-0.10
Rot. Bonds

About [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone

[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone (PubChem CID 2147527) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
PubChem CID2147527
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H26N4O4/c20-14(18-6-10-22-11-7-18)16-2-1-3-17(5-4-16)15(21)19-8-12-23-13-9-19/h1-13H2
InChIKeyNRMDUTJZTCULJT-UHFFFAOYSA-N
XLogP-0.10
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimorpholamine
CID 3091
N,N-dimethyl-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 2147557
N,N-diethyl-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 1094968
1-{[4-(4-Morpholinylsulfonyl)-1-piperazinyl]carbonyl}azepane
CID 2234132
1-{[4-(4-Morpholinylcarbonyl)-1-piperazinyl]carbonyl}azepane
CID 2238616
1-(4-(Morpholine-4-carbonyl)-1,4-diazepan-1-yl)ethan-1-one
CID 15538286
4-(Morpholine-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493956
(4-Methylpiperazin-1-yl)-morpholin-4-ylmethanone;propane
CID 145514082
4-[2-[(Dimethylamino)methyl]morpholine-4-carbonyl]piperazine-1-carbaldehyde
CID 175842564
Morpholin-4-yl-(4-propylpiperazin-1-yl)methanone
CID 52542444
(4-Methanidylpiperazin-1-yl)-morpholin-4-ylmethanone
CID 59620108
[4-(2-Hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 78942628

Frequently Asked Questions

What is the IUPAC name of [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone (CID 2147527) is [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The InChIKey is NRMDUTJZTCULJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c20-14(18-6-10-22-11-7-18)16-2-1-3-17(5-4-16)15(21)19-8-12-23-13-9-19/h1-13H2.
What are the key properties of [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2147527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).