1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one

C16H24N2O — CID 110873769

IUPAC1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-2-3-10-16(19)18-12-7-11-17(13-14-18)15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3
InChIKeyOTZGOEYHOYJOQV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one

1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one (PubChem CID 110873769) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
PubChem CID110873769
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-2-3-10-16(19)18-12-7-11-17(13-14-18)15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3
InChIKeyOTZGOEYHOYJOQV-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one;dihydrochloride
CID 119860823
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one;dihydrochloride
CID 120564928
3,3-dimethyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873807
3-methyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873770
4-pentanoyl-1-phenyl-1,4-diazepan-2-one
CID 110873832
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
CID 113078817
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one?
The IUPAC name of 1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one (CID 110873769) is 1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one.
What is the SMILES notation for 1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one?
The canonical SMILES for 1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one is CCCCC(=O)N1CCCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one?
The InChIKey is OTZGOEYHOYJOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-10-16(19)18-12-7-11-17(13-14-18)15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3.
What are the key properties of 1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one?
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one is sourced from PubChem (CID 110873769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).