N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide

C23H26N6O — CID 41182442

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H26N6O/c30-23(18-9-7-17(8-10-18)16-28-13-2-1-3-14-28)24-20-6-4-5-19(15-20)22-25-26-27-29(22)21-11-12-21/h4-10,15,21H,1-3,11-14,16H2,(H,24,30)
InChIKeyCNFDUWGLDBTIHZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.91
Rot. Bonds6

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 41182442) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID41182442
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H26N6O/c30-23(18-9-7-17(8-10-18)16-28-13-2-1-3-14-28)24-20-6-4-5-19(15-20)22-25-26-27-29(22)21-11-12-21/h4-10,15,21H,1-3,11-14,16H2,(H,24,30)
InChIKeyCNFDUWGLDBTIHZ-UHFFFAOYSA-N
XLogP3.91
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
CID 41181754
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 24590722
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 39688585
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide (CID 41182442) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide is O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is CNFDUWGLDBTIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c30-23(18-9-7-17(8-10-18)16-28-13-2-1-3-14-28)24-20-6-4-5-19(15-20)22-25-26-27-29(22)21-11-12-21/h4-10,15,21H,1-3,11-14,16H2,(H,24,30).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 41182442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).