N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride

C19H29ClN6O — CID 6603419

IUPACN-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCC1(C)CC(CCNC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)N1.Cl
InChIInChI=1S/C19H28N6O.ClH/c1-18(2)11-14(12-19(3,4)22-18)9-10-20-17(26)15-5-7-16(8-6-15)25-13-21-23-24-25;/h5-8,13-14,22H,9-12H2,1-4H3,(H,20,26);1H
InChIKeyCTSQTNLYOGTPGM-UHFFFAOYSA-N
MW392.94 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride

N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride (PubChem CID 6603419) has the molecular formula C19H29ClN6O and a molecular weight of 392.94 g/mol. Its IUPAC name is N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
PubChem CID6603419
Molecular FormulaC19H29ClN6O
Molecular Weight392.94 g/mol
Exact Mass392.21
IUPAC NameN-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCC1(C)CC(CCNC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)N1.Cl
InChIInChI=1S/C19H28N6O.ClH/c1-18(2)11-14(12-19(3,4)22-18)9-10-20-17(26)15-5-7-16(8-6-15)25-13-21-23-24-25;/h5-8,13-14,22H,9-12H2,1-4H3,(H,20,26);1H
InChIKeyCTSQTNLYOGTPGM-UHFFFAOYSA-N
XLogP2.76
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.94
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1H-tetrazol-1-yl)phenyl]ethanone
CID 716433
N-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
CID 6460430
4-tert-butyl-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7708843
4-(1H-tetrazol-1-yl)benzohydrazide
CID 2114009
N-Adamantan-1-yl-2-(4-tetrazol-1-yl-phenyl)-acetamide
CID 650121
N-[4-methyl-3-(1H-tetraazol-1-yl)phenyl]benzamide
CID 855937
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
1'-[4-(1H-tetrazol-1-yl)benzoyl]-1,4'-bipiperidine-4'-carboxamide
CID 1267908
1-(diphenylmethyl)-4-[4-(1H-tetrazol-1-yl)benzoyl]piperazine
CID 2355819

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride (CID 6603419) is N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride is CC1(C)CC(CCNC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)N1.Cl.
What is the InChIKey of N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The InChIKey is CTSQTNLYOGTPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O.ClH/c1-18(2)11-14(12-19(3,4)22-18)9-10-20-17(26)15-5-7-16(8-6-15)25-13-21-23-24-25;/h5-8,13-14,22H,9-12H2,1-4H3,(H,20,26);1H.
What are the key properties of N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride has a molecular weight of 392.94 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-4-(tetrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 6603419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).