2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone

C16H24N4O2 — CID 56788397

IUPAC2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
SMILESO=C(COC1CCCC1)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C16H24N4O2/c21-15(13-22-14-5-1-2-6-14)19-9-4-10-20(12-11-19)16-17-7-3-8-18-16/h3,7-8,14H,1-2,4-6,9-13H2
InChIKeyRJDZPHKASSUDCS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.47
Rot. Bonds4

About 2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone

2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone (PubChem CID 56788397) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
PubChem CID56788397
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
SMILESO=C(COC1CCCC1)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C16H24N4O2/c21-15(13-22-14-5-1-2-6-14)19-9-4-10-20(12-11-19)16-17-7-3-8-18-16/h3,7-8,14H,1-2,4-6,9-13H2
InChIKeyRJDZPHKASSUDCS-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone (CID 56788397) is 2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone is O=C(COC1CCCC1)N1CCCN(c2ncccn2)CC1.
What is the InChIKey of 2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone?
The InChIKey is RJDZPHKASSUDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(13-22-14-5-1-2-6-14)19-9-4-10-20(12-11-19)16-17-7-3-8-18-16/h3,7-8,14H,1-2,4-6,9-13H2.
What are the key properties of 2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone?
2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 56788397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).