N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide

C24H30N6O3 — CID 20637950

IUPACN-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide
SMILESCCn1nnc(-c2ccc(C(=O)N[C@@H]3CCN(C)C[C@@H]3c3ccc(OC)c(OC)c3)cc2)n1
InChIInChI=1S/C24H30N6O3/c1-5-30-27-23(26-28-30)16-6-8-17(9-7-16)24(31)25-20-12-13-29(2)15-19(20)18-10-11-21(32-3)22(14-18)33-4/h6-11,14,19-20H,5,12-13,15H2,1-4H3,(H,25,31)/t19-,20-/m1/s1
InChIKeyVNPMZBHONUPPAE-WOJBJXKFSA-N
MW450.54 g/mol
LogP2.59
Rot. Bonds7

About N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide

N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide (PubChem CID 20637950) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide
PubChem CID20637950
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide
SMILESCCn1nnc(-c2ccc(C(=O)N[C@@H]3CCN(C)C[C@@H]3c3ccc(OC)c(OC)c3)cc2)n1
InChIInChI=1S/C24H30N6O3/c1-5-30-27-23(26-28-30)16-6-8-17(9-7-16)24(31)25-20-12-13-29(2)15-19(20)18-10-11-21(32-3)22(14-18)33-4/h6-11,14,19-20H,5,12-13,15H2,1-4H3,(H,25,31)/t19-,20-/m1/s1
InChIKeyVNPMZBHONUPPAE-WOJBJXKFSA-N
XLogP2.59
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-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

N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide
CID 18621298
[(1R,3R,4R)-3-[3-(2,2-difluoroethoxy)-4-methoxyphenyl]-4-[[4-(2-ethyltetrazol-5-yl)benzoyl]amino]cyclohexyl] acetate
CID 90729718
N-[(2S,3S)-3-(3,4-diethoxyphenyl)-1-methylpiperidin-2-yl]-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide
CID 20637944
[(3S,4R)-3-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-4-yl]urea
CID 163333315
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
methyl 2-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl]acetate
CID 54210068
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3,4-dimethoxyphenyl)benzamide
CID 121494527
(4aR,10bS)-8-ethoxy-6-[3-(2-ethyltetrazol-5-yl)phenyl]-9-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine
CID 20637975
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
(4aR,10bS)-9-ethoxy-6-[4-(2-hexyltetrazol-5-yl)phenyl]-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine
CID 70022894

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide?
The IUPAC name of N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide (CID 20637950) is N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide?
The canonical SMILES for N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide is CCn1nnc(-c2ccc(C(=O)N[C@@H]3CCN(C)C[C@@H]3c3ccc(OC)c(OC)c3)cc2)n1.
What is the InChIKey of N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide?
The InChIKey is VNPMZBHONUPPAE-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-5-30-27-23(26-28-30)16-6-8-17(9-7-16)24(31)25-20-12-13-29(2)15-19(20)18-10-11-21(32-3)22(14-18)33-4/h6-11,14,19-20H,5,12-13,15H2,1-4H3,(H,25,31)/t19-,20-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide?
N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide has a molecular weight of 450.54 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide is sourced from PubChem (CID 20637950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).