N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide

C22H26N6O — CID 110244606

IUPACN-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCN1CCC(CCc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)CC1
InChIInChI=1S/C22H26N6O/c1-27-13-11-18(12-14-27)6-5-17-7-9-20(10-8-17)24-22(29)19-3-2-4-21(15-19)28-16-23-25-26-28/h2-4,7-10,15-16,18H,5-6,11-14H2,1H3,(H,24,29)
InChIKeyIDYLPNKUGVLNMC-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.19
Rot. Bonds6

About N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide

N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 110244606) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide
PubChem CID110244606
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCN1CCC(CCc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)CC1
InChIInChI=1S/C22H26N6O/c1-27-13-11-18(12-14-27)6-5-17-7-9-20(10-8-17)24-22(29)19-3-2-4-21(15-19)28-16-23-25-26-28/h2-4,7-10,15-16,18H,5-6,11-14H2,1H3,(H,24,29)
InChIKeyIDYLPNKUGVLNMC-UHFFFAOYSA-N
XLogP3.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide
CID 55930735
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18158615
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 3718806
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide
CID 95744341

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide (CID 110244606) is N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide is CN1CCC(CCc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)CC1.
What is the InChIKey of N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is IDYLPNKUGVLNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-27-13-11-18(12-14-27)6-5-17-7-9-20(10-8-17)24-22(29)19-3-2-4-21(15-19)28-16-23-25-26-28/h2-4,7-10,15-16,18H,5-6,11-14H2,1H3,(H,24,29).
What are the key properties of N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide?
N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 110244606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).