[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone

C17H27N3O — CID 43252177

IUPAC[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone
SMILESCCC(CCN)N1CCCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-16(9-10-18)19-11-6-12-20(14-13-19)17(21)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14,18H2,1H3
InChIKeyFUZJZNAVMRHWJU-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.96
Rot. Bonds5

About [4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone

[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone (PubChem CID 43252177) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone
PubChem CID43252177
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone
SMILESCCC(CCN)N1CCCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-16(9-10-18)19-11-6-12-20(14-13-19)17(21)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14,18H2,1H3
InChIKeyFUZJZNAVMRHWJU-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 43252178
[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 102921173
[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63085261
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
tert-butyl 4-(1-aminopentan-3-yl)-1,4-diazepane-1-carboxylate
CID 43252186
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119291825
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 63337883
(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
CID 30807703
[4-[(2S)-butan-2-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 796451

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone?
The IUPAC name of [4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone (CID 43252177) is [4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone?
The canonical SMILES for [4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone is CCC(CCN)N1CCCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone?
The InChIKey is FUZJZNAVMRHWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-16(9-10-18)19-11-6-12-20(14-13-19)17(21)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14,18H2,1H3.
What are the key properties of [4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone?
[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone has a molecular weight of 289.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone is sourced from PubChem (CID 43252177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).