4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide

C16H22N6O — CID 94813436

IUPAC4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide
SMILESCN1CCCC[C@@H]1CCn1nnc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C16H22N6O/c1-21-10-3-2-4-14(21)9-11-22-19-16(18-20-22)13-7-5-12(6-8-13)15(17)23/h5-8,14H,2-4,9-11H2,1H3,(H2,17,23)/t14-/m1/s1
InChIKeyKEMFYCOICIREAN-CQSZACIVSA-N
MW314.39 g/mol
LogP1.31
Rot. Bonds5

About 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide

4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide (PubChem CID 94813436) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide
PubChem CID94813436
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide
SMILESCN1CCCC[C@@H]1CCn1nnc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C16H22N6O/c1-21-10-3-2-4-14(21)9-11-22-19-16(18-20-22)13-7-5-12(6-8-13)15(17)23/h5-8,14H,2-4,9-11H2,1H3,(H2,17,23)/t14-/m1/s1
InChIKeyKEMFYCOICIREAN-CQSZACIVSA-N
XLogP1.31
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656714
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 107912883
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 46806674
4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8996563
4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide
CID 8996445
4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide
CID 8996432
N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 71983912
3-(1-methylpiperidin-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 131897537
3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide
CID 120580017
4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 99704636
1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanone
CID 107914245
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 77089273

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide (CID 94813436) is 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide is CN1CCCC[C@@H]1CCn1nnc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide?
The InChIKey is KEMFYCOICIREAN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N6O/c1-21-10-3-2-4-14(21)9-11-22-19-16(18-20-22)13-7-5-12(6-8-13)15(17)23/h5-8,14H,2-4,9-11H2,1H3,(H2,17,23)/t14-/m1/s1.
What are the key properties of 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide?
4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 94813436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).