1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one

C16H25N3O — CID 82907669

IUPAC1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
SMILESCC1CCNC(C2CC2)CN1CCn1ccccc1=O
InChIInChI=1S/C16H25N3O/c1-13-7-8-17-15(14-5-6-14)12-19(13)11-10-18-9-3-2-4-16(18)20/h2-4,9,13-15,17H,5-8,10-12H2,1H3
InChIKeyIPLYDSSIOXJQFM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.31
Rot. Bonds4

About 1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one

1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one (PubChem CID 82907669) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
PubChem CID82907669
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
SMILESCC1CCNC(C2CC2)CN1CCn1ccccc1=O
InChIInChI=1S/C16H25N3O/c1-13-7-8-17-15(14-5-6-14)12-19(13)11-10-18-9-3-2-4-16(18)20/h2-4,9,13-15,17H,5-8,10-12H2,1H3
InChIKeyIPLYDSSIOXJQFM-UHFFFAOYSA-N
XLogP1.31
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one (CID 82907669) is 1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one is CC1CCNC(C2CC2)CN1CCn1ccccc1=O.
What is the InChIKey of 1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one?
The InChIKey is IPLYDSSIOXJQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-7-8-17-15(14-5-6-14)12-19(13)11-10-18-9-3-2-4-16(18)20/h2-4,9,13-15,17H,5-8,10-12H2,1H3.
What are the key properties of 1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one?
1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one has a molecular weight of 275.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82907669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).