N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide

C27H28N6O — CID 45488278

IUPACN-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCc1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc(-n3cnnn3)c2)c1
InChIInChI=1S/C27H28N6O/c1-20-6-5-9-22(14-20)23-15-24(17-26(16-23)33-19-28-30-31-33)27(34)29-25-10-12-32(13-11-25)18-21-7-3-2-4-8-21/h2-9,14-17,19,25H,10-13,18H2,1H3,(H,29,34)
InChIKeyCGBDCJHJBMPOAL-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.03
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide

N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 45488278) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID45488278
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCc1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc(-n3cnnn3)c2)c1
InChIInChI=1S/C27H28N6O/c1-20-6-5-9-22(14-20)23-15-24(17-26(16-23)33-19-28-30-31-33)27(34)29-25-10-12-32(13-11-25)18-21-7-3-2-4-8-21/h2-9,14-17,19,25H,10-13,18H2,1H3,(H,29,34)
InChIKeyCGBDCJHJBMPOAL-UHFFFAOYSA-N
XLogP4.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide (CID 45488278) is N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide is Cc1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc(-n3cnnn3)c2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is CGBDCJHJBMPOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-20-6-5-9-22(14-20)23-15-24(17-26(16-23)33-19-28-30-31-33)27(34)29-25-10-12-32(13-11-25)18-21-7-3-2-4-8-21/h2-9,14-17,19,25H,10-13,18H2,1H3,(H,29,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide?
N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 452.56 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 45488278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).