2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone

C12H22N2O — CID 91255593

IUPAC2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
SMILESCCN1CCCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C12H22N2O/c1-2-13-6-3-7-14(9-8-13)12(15)10-11-4-5-11/h11H,2-10H2,1H3
InChIKeyKPGOPJBPBCBPRZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.34
Rot. Bonds3

About 2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone

2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone (PubChem CID 91255593) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
PubChem CID91255593
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
SMILESCCN1CCCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C12H22N2O/c1-2-13-6-3-7-14(9-8-13)12(15)10-11-4-5-11/h11H,2-10H2,1H3
InChIKeyKPGOPJBPBCBPRZ-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 79607332
2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418
1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
CID 120704431
2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 50950882
(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one
CID 119879448
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-2-cyclobutylethanone
CID 103161379
2-[4-(aminomethyl)cyclohexyl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 63613057
1-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-2-cyclohexylethanone
CID 43252003
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-4-ylethanone
CID 107218250
2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 119879435
2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 97392926

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone (CID 91255593) is 2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone is CCN1CCCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone?
The InChIKey is KPGOPJBPBCBPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-13-6-3-7-14(9-8-13)12(15)10-11-4-5-11/h11H,2-10H2,1H3.
What are the key properties of 2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone?
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 91255593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).