3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one

C13H25N3O — CID 83634844

IUPAC3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one
SMILESNCCC(=O)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C13H25N3O/c14-7-6-13(17)16-9-3-8-15(10-11-16)12-4-1-2-5-12/h12H,1-11,14H2
InChIKeyDUFSCAHPHHSSRS-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds3

About 3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one

3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one (PubChem CID 83634844) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one
PubChem CID83634844
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one
SMILESNCCC(=O)N1CCCN(C2CCCC2)CC1
InChIInChI=1S/C13H25N3O/c14-7-6-13(17)16-9-3-8-15(10-11-16)12-4-1-2-5-12/h12H,1-11,14H2
InChIKeyDUFSCAHPHHSSRS-UHFFFAOYSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119887218
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
1-(4-cyclopentylpiperazin-1-yl)-3-(cyclopropylamino)propan-1-one
CID 62368291
1-(4-cyclopentyl-1,4-diazepan-1-yl)-4-(4-fluorophenyl)butane-1,4-dione
CID 70754899
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982571
1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide
CID 123313839
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
3-amino-1-(17-oxa-9,14-diazatricyclo[16.3.1.04,9]docosa-1(22),18,20-trien-14-yl)propan-1-one;dihydrochloride
CID 154923333
1-(4-chlorophenyl)-4-(4-cyclopropyl-1,4-diazepan-1-yl)butane-1,4-dione;hydrochloride
CID 18456239
2-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 128926960

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one (CID 83634844) is 3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one is NCCC(=O)N1CCCN(C2CCCC2)CC1.
What is the InChIKey of 3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one?
The InChIKey is DUFSCAHPHHSSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-7-6-13(17)16-9-3-8-15(10-11-16)12-4-1-2-5-12/h12H,1-11,14H2.
What are the key properties of 3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one?
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one is sourced from PubChem (CID 83634844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).