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

C9H16N2O — CID 16775568

IUPACcyclopropyl(1,4-diazepan-1-yl)methanone
SMILESO=C(C1CC1)N1CCCNCC1
InChIInChI=1S/C9H16N2O/c12-9(8-2-3-8)11-6-1-4-10-5-7-11/h8,10H,1-7H2
InChIKeyJPUWPSGQGXHCGW-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds1

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

cyclopropyl(1,4-diazepan-1-yl)methanone (PubChem CID 16775568) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclopropyl(1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1,4-diazepan-1-yl)methanone
PubChem CID16775568
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Namecyclopropyl(1,4-diazepan-1-yl)methanone
SMILESO=C(C1CC1)N1CCCNCC1
InChIInChI=1S/C9H16N2O/c12-9(8-2-3-8)11-6-1-4-10-5-7-11/h8,10H,1-7H2
InChIKeyJPUWPSGQGXHCGW-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
[4,8-bis(cyclohexanecarbonyl)-1,4,8,11-tetrazacyclotetradec-1-yl]-cyclohexylmethanone;cycloheptanecarbaldehyde
CID 142113322
1,4-diazepan-1-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 61154711
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
1,4-diazepan-1-yl-(1,1-dioxothian-2-yl)methanone
CID 113421775

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1,4-diazepan-1-yl)methanone?
The IUPAC name of cyclopropyl(1,4-diazepan-1-yl)methanone (CID 16775568) is cyclopropyl(1,4-diazepan-1-yl)methanone.
What is the SMILES notation for cyclopropyl(1,4-diazepan-1-yl)methanone?
The canonical SMILES for cyclopropyl(1,4-diazepan-1-yl)methanone is O=C(C1CC1)N1CCCNCC1.
What is the InChIKey of cyclopropyl(1,4-diazepan-1-yl)methanone?
The InChIKey is JPUWPSGQGXHCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9(8-2-3-8)11-6-1-4-10-5-7-11/h8,10H,1-7H2.
What are the key properties of cyclopropyl(1,4-diazepan-1-yl)methanone?
cyclopropyl(1,4-diazepan-1-yl)methanone has a molecular weight of 168.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 16775568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).