1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one

C10H19N7O — CID 163750011

IUPAC1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one
SMILESCNC1CNCCN1C(=O)CCCc1nn[nH]n1
InChIInChI=1S/C10H19N7O/c1-11-9-7-12-5-6-17(9)10(18)4-2-3-8-13-15-16-14-8/h9,11-12H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyLPESEYDCUYWESX-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.50
Rot. Bonds5

About 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one

1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one (PubChem CID 163750011) has the molecular formula C10H19N7O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one
PubChem CID163750011
Molecular FormulaC10H19N7O
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one
SMILESCNC1CNCCN1C(=O)CCCc1nn[nH]n1
InChIInChI=1S/C10H19N7O/c1-11-9-7-12-5-6-17(9)10(18)4-2-3-8-13-15-16-14-8/h9,11-12H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyLPESEYDCUYWESX-UHFFFAOYSA-N
XLogP-1.50
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-tert-butylpiperazin-1-yl)-4-(3H-1,2,4-triazol-5-yl)butan-1-one
CID 129255667
1-amino-5-(2H-tetrazol-5-yl)pentan-2-one
CID 167627003
5-[4-[(2S)-2-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 124571200
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
N-[2-[2-[[2-[3-oxo-3-[2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperazin-1-yl]propyl]phenyl]methyl]phenyl]ethyl]acetamide
CID 68669304
triethyl-[3-oxo-6-(2H-tetrazol-5-yl)hexyl]azanium
CID 167598954
(3S)-1,2,2-trimethyl-5-oxo-N-[3-(2H-tetrazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 126439441
4-ethoxy-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 82705112
1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
CID 155982994
1-(2-propan-2-ylpiperazin-1-yl)butan-1-one
CID 82241181
1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 82241192
(1R,2S,8R,9S)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide;hydrochloride
CID 171708238

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one?
The IUPAC name of 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one (CID 163750011) is 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one?
The canonical SMILES for 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one is CNC1CNCCN1C(=O)CCCc1nn[nH]n1.
What is the InChIKey of 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one?
The InChIKey is LPESEYDCUYWESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O/c1-11-9-7-12-5-6-17(9)10(18)4-2-3-8-13-15-16-14-8/h9,11-12H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one?
1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one has a molecular weight of 253.31 g/mol, XLogP of -1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one is sourced from PubChem (CID 163750011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).