1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane

C16H25N3O — CID 22478500

IUPAC1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane
SMILESCN1CCCN(c2cncc(OC3CCCC3)c2)CC1
InChIInChI=1S/C16H25N3O/c1-18-7-4-8-19(10-9-18)14-11-16(13-17-12-14)20-15-5-2-3-6-15/h11-13,15H,2-10H2,1H3
InChIKeySYSCGYLNJIYMGG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.54
Rot. Bonds3

About 1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane

1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane (PubChem CID 22478500) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane
PubChem CID22478500
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane
SMILESCN1CCCN(c2cncc(OC3CCCC3)c2)CC1
InChIInChI=1S/C16H25N3O/c1-18-7-4-8-19(10-9-18)14-11-16(13-17-12-14)20-15-5-2-3-6-15/h11-13,15H,2-10H2,1H3
InChIKeySYSCGYLNJIYMGG-UHFFFAOYSA-N
XLogP2.54
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane?
The IUPAC name of 1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane (CID 22478500) is 1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane?
The canonical SMILES for 1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane is CN1CCCN(c2cncc(OC3CCCC3)c2)CC1.
What is the InChIKey of 1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane?
The InChIKey is SYSCGYLNJIYMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-7-4-8-19(10-9-18)14-11-16(13-17-12-14)20-15-5-2-3-6-15/h11-13,15H,2-10H2,1H3.
What are the key properties of 1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane?
1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane has a molecular weight of 275.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane is sourced from PubChem (CID 22478500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).