1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one

C14H25N3O2 — CID 54916556

IUPAC1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
SMILESCCC(=O)N1CCCN(C(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-2-12(18)16-8-5-9-17(11-10-16)13(19)14(15)6-3-4-7-14/h2-11,15H2,1H3
InChIKeyXYSAFQKVHUDEBN-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.73
Rot. Bonds2

About 1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one

1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one (PubChem CID 54916556) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
PubChem CID54916556
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
SMILESCCC(=O)N1CCCN(C(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-2-12(18)16-8-5-9-17(11-10-16)13(19)14(15)6-3-4-7-14/h2-11,15H2,1H3
InChIKeyXYSAFQKVHUDEBN-UHFFFAOYSA-N
XLogP0.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one?
The IUPAC name of 1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one (CID 54916556) is 1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one is CCC(=O)N1CCCN(C(=O)C2(N)CCCC2)CC1.
What is the InChIKey of 1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one?
The InChIKey is XYSAFQKVHUDEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-12(18)16-8-5-9-17(11-10-16)13(19)14(15)6-3-4-7-14/h2-11,15H2,1H3.
What are the key properties of 1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one?
1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one has a molecular weight of 267.37 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]propan-1-one is sourced from PubChem (CID 54916556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).