5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide

C17H23ClN6O2 — CID 60508392

IUPAC5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC(C)CN1CCCCC1
InChIInChI=1S/C17H23ClN6O2/c1-12(10-23-6-4-3-5-7-23)20-17(25)13-8-14(18)15(9-16(13)26-2)24-11-19-21-22-24/h8-9,11-12H,3-7,10H2,1-2H3,(H,20,25)
InChIKeyNTJNSMIWLVPFAK-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.93
Rot. Bonds6

About 5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide

5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide (PubChem CID 60508392) has the molecular formula C17H23ClN6O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide
PubChem CID60508392
Molecular FormulaC17H23ClN6O2
Molecular Weight378.86 g/mol
Exact Mass378.16
IUPAC Name5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC(C)CN1CCCCC1
InChIInChI=1S/C17H23ClN6O2/c1-12(10-23-6-4-3-5-7-23)20-17(25)13-8-14(18)15(9-16(13)26-2)24-11-19-21-22-24/h8-9,11-12H,3-7,10H2,1-2H3,(H,20,25)
InChIKeyNTJNSMIWLVPFAK-UHFFFAOYSA-N
XLogP1.93
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55774066
5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 56553126
5-chloro-2-methoxy-N-[2-[(2R)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
CID 52512621
5-chloro-2-methoxy-N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(tetrazol-1-yl)benzamide
CID 52512620
[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512126
5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 55773010
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55791493
[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 55774799
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396075
5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55776312
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide (CID 60508392) is 5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC(C)CN1CCCCC1.
What is the InChIKey of 5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is NTJNSMIWLVPFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O2/c1-12(10-23-6-4-3-5-7-23)20-17(25)13-8-14(18)15(9-16(13)26-2)24-11-19-21-22-24/h8-9,11-12H,3-7,10H2,1-2H3,(H,20,25).
What are the key properties of 5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide?
5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 378.86 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1-piperidin-1-ylpropan-2-yl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 60508392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).