2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

C12H22ClN7O — CID 119915232

IUPAC2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1nnnn1C1CC1.Cl
InChIInChI=1S/C12H21N7O.ClH/c1-17(9-12(20)18-6-4-13-5-7-18)8-11-14-15-16-19(11)10-2-3-10;/h10,13H,2-9H2,1H3;1H
InChIKeyDOJTWLWOWAPQSP-UHFFFAOYSA-N
MW315.81 g/mol
LogP-0.71
Rot. Bonds5

About 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119915232) has the molecular formula C12H22ClN7O and a molecular weight of 315.81 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119915232
Molecular FormulaC12H22ClN7O
Molecular Weight315.81 g/mol
Exact Mass315.16
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1nnnn1C1CC1.Cl
InChIInChI=1S/C12H21N7O.ClH/c1-17(9-12(20)18-6-4-13-5-7-18)8-11-14-15-16-19(11)10-2-3-10;/h10,13H,2-9H2,1H3;1H
InChIKeyDOJTWLWOWAPQSP-UHFFFAOYSA-N
XLogP-0.71
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
CID 66187611
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
N-cyclopropyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914949
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 120835873
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide
CID 38357767

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (CID 119915232) is 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is CN(CC(=O)N1CCNCC1)Cc1nnnn1C1CC1.Cl.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is DOJTWLWOWAPQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O.ClH/c1-17(9-12(20)18-6-4-13-5-7-18)8-11-14-15-16-19(11)10-2-3-10;/h10,13H,2-9H2,1H3;1H.
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 315.81 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119915232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).