1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one

C15H25N3O — CID 82907517

IUPAC1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
SMILESCC(C)C1CN(CCn2ccccc2=O)CCCN1
InChIInChI=1S/C15H25N3O/c1-13(2)14-12-17(8-5-7-16-14)10-11-18-9-4-3-6-15(18)19/h3-4,6,9,13-14,16H,5,7-8,10-12H2,1-2H3
InChIKeyRHZAHCDQJFVOPX-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.17
Rot. Bonds4

About 1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one

1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one (PubChem CID 82907517) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
PubChem CID82907517
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
SMILESCC(C)C1CN(CCn2ccccc2=O)CCCN1
InChIInChI=1S/C15H25N3O/c1-13(2)14-12-17(8-5-7-16-14)10-11-18-9-4-3-6-15(18)19/h3-4,6,9,13-14,16H,5,7-8,10-12H2,1-2H3
InChIKeyRHZAHCDQJFVOPX-UHFFFAOYSA-N
XLogP1.17
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907056
1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane
CID 64856673
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
1-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82907814
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
3-propan-2-yl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64856486
3-propan-2-yl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64856484
1-[2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82898587
2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]quinoline
CID 64858401
1-[(4-bromophenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64857060

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one (CID 82907517) is 1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one is CC(C)C1CN(CCn2ccccc2=O)CCCN1.
What is the InChIKey of 1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one?
The InChIKey is RHZAHCDQJFVOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)14-12-17(8-5-7-16-14)10-11-18-9-4-3-6-15(18)19/h3-4,6,9,13-14,16H,5,7-8,10-12H2,1-2H3.
What are the key properties of 1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one?
1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-yl-1,4-diazepan-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82907517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).