2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

C19H32N4O2 — CID 56802171

IUPAC2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(C)n1ccnc1CN1CCCN(C(=O)COC2CCCC2)CC1
InChIInChI=1S/C19H32N4O2/c1-16(2)23-11-8-20-18(23)14-21-9-5-10-22(13-12-21)19(24)15-25-17-6-3-4-7-17/h8,11,16-17H,3-7,9-10,12-15H2,1-2H3
InChIKeyMHABMNJFXYRYMW-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.46
Rot. Bonds6

About 2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 56802171) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
PubChem CID56802171
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(C)n1ccnc1CN1CCCN(C(=O)COC2CCCC2)CC1
InChIInChI=1S/C19H32N4O2/c1-16(2)23-11-8-20-18(23)14-21-9-5-10-22(13-12-21)19(24)15-25-17-6-3-4-7-17/h8,11,16-17H,3-7,9-10,12-15H2,1-2H3
InChIKeyMHABMNJFXYRYMW-UHFFFAOYSA-N
XLogP2.46
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.46
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-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone (CID 56802171) is 2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone is CC(C)n1ccnc1CN1CCCN(C(=O)COC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is MHABMNJFXYRYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-16(2)23-11-8-20-18(23)14-21-9-5-10-22(13-12-21)19(24)15-25-17-6-3-4-7-17/h8,11,16-17H,3-7,9-10,12-15H2,1-2H3.
What are the key properties of 2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 348.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 56802171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).