2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone

C13H26N4O — CID 55123228

IUPAC2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCN1CCCN(C(=O)CN2CCCNCC2)CC1
InChIInChI=1S/C13H26N4O/c1-15-6-3-8-17(11-10-15)13(18)12-16-7-2-4-14-5-9-16/h14H,2-12H2,1H3
InChIKeySEONIGISXBZCRX-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.55
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone

2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone (PubChem CID 55123228) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
PubChem CID55123228
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCN1CCCN(C(=O)CN2CCCNCC2)CC1
InChIInChI=1S/C13H26N4O/c1-15-6-3-8-17(11-10-15)13(18)12-16-7-2-4-14-5-9-16/h14H,2-12H2,1H3
InChIKeySEONIGISXBZCRX-UHFFFAOYSA-N
XLogP-0.55
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone
CID 63160661
2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63635976
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-(1,4-diazepan-1-yl)-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106668995
1-(1,4-diazepan-1-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63611091
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-(1,4-diazepan-1-yl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62833648
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 54981545

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone (CID 55123228) is 2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone is CN1CCCN(C(=O)CN2CCCNCC2)CC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
The InChIKey is SEONIGISXBZCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-15-6-3-8-17(11-10-15)13(18)12-16-7-2-4-14-5-9-16/h14H,2-12H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone?
2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone has a molecular weight of 254.38 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 55123228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).