2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide

C13H24N4O2 — CID 64822046

IUPAC2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)C2CCCC2N)CC1
InChIInChI=1S/C13H24N4O2/c14-11-4-1-3-10(11)13(19)17-6-2-5-16(7-8-17)9-12(15)18/h10-11H,1-9,14H2,(H2,15,18)
InChIKeyTWUBNRSGXGODJN-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.87
Rot. Bonds3

About 2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide

2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 64822046) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID64822046
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)C2CCCC2N)CC1
InChIInChI=1S/C13H24N4O2/c14-11-4-1-3-10(11)13(19)17-6-2-5-16(7-8-17)9-12(15)18/h10-11H,1-9,14H2,(H2,15,18)
InChIKeyTWUBNRSGXGODJN-UHFFFAOYSA-N
XLogP-0.87
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 64823507
2-[1-(2-aminocyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 64822434
2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 54873622
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085
2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 79210332
2-(azetidin-1-yl)acetamide
CID 18923030
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 56820036
[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone
CID 164661854
(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 64823652
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 64823213

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide (CID 64822046) is 2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide is NC(=O)CN1CCCN(C(=O)C2CCCC2N)CC1.
What is the InChIKey of 2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is TWUBNRSGXGODJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c14-11-4-1-3-10(11)13(19)17-6-2-5-16(7-8-17)9-12(15)18/h10-11H,1-9,14H2,(H2,15,18).
What are the key properties of 2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 268.36 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 64822046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).