1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone

C10H22N4O — CID 22113791

IUPAC1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone
SMILESCC(=O)C1CNCCNCCNCCN1
InChIInChI=1S/C10H22N4O/c1-9(15)10-8-13-5-4-11-2-3-12-6-7-14-10/h10-14H,2-8H2,1H3
InChIKeyHJGOZTZURVYSBA-UHFFFAOYSA-N
MW214.31 g/mol
LogP-1.68
Rot. Bonds1

About 1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone

1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone (PubChem CID 22113791) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone
PubChem CID22113791
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone
SMILESCC(=O)C1CNCCNCCNCCN1
InChIInChI=1S/C10H22N4O/c1-9(15)10-8-13-5-4-11-2-3-12-6-7-14-10/h10-14H,2-8H2,1H3
InChIKeyHJGOZTZURVYSBA-UHFFFAOYSA-N
XLogP-1.68
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone
CID 22113787
N,N-dimethylpiperazine-2-carboxamide
CID 21295694
acetic acid;piperazine-2-carboxamide
CID 14877963
acetic acid;piperazine-2-carboxamide
CID 174786994
1-imidazolidin-4-ylethanone
CID 142034527
piperazine-2-carboxylic acid
CID 2723758
piperazine-2-carboxylic acid;hydrochloride
CID 52987850
2-[(E)-but-2-en-2-yl]piperazine;ethane
CID 169255491
ethyl piperazine-2-carboxylate
CID 10633257
N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride
CID 90460237
(1-hydroxycyclopropyl)-piperazin-2-ylmethanone
CID 91074535
N-(4-acetamidophenyl)piperazine-2-carboxamide
CID 63103626

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone?
The IUPAC name of 1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone (CID 22113791) is 1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone.
What is the SMILES notation for 1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone?
The canonical SMILES for 1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone is CC(=O)C1CNCCNCCNCCN1.
What is the InChIKey of 1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone?
The InChIKey is HJGOZTZURVYSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9(15)10-8-13-5-4-11-2-3-12-6-7-14-10/h10-14H,2-8H2,1H3.
What are the key properties of 1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone?
1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone has a molecular weight of 214.31 g/mol, XLogP of -1.68, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone is sourced from PubChem (CID 22113791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).