5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride

C17H24Cl2N6O3 — CID 120891118

IUPAC5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)CCNCC1.Cl
InChIInChI=1S/C17H23ClN6O3.ClH/c1-26-10-17(3-5-19-6-4-17)9-20-16(25)12-7-13(18)14(8-15(12)27-2)24-11-21-22-23-24;/h7-8,11,19H,3-6,9-10H2,1-2H3,(H,20,25);1H
InChIKeyBXRJDHRYMPXVCZ-UHFFFAOYSA-N
MW431.32 g/mol
LogP1.49
Rot. Bonds7

About 5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride

5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride (PubChem CID 120891118) has the molecular formula C17H24Cl2N6O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
PubChem CID120891118
Molecular FormulaC17H24Cl2N6O3
Molecular Weight431.32 g/mol
Exact Mass430.13
IUPAC Name5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)CCNCC1.Cl
InChIInChI=1S/C17H23ClN6O3.ClH/c1-26-10-17(3-5-19-6-4-17)9-20-16(25)12-7-13(18)14(8-15(12)27-2)24-11-21-22-23-24;/h7-8,11,19H,3-6,9-10H2,1-2H3,(H,20,25);1H
InChIKeyBXRJDHRYMPXVCZ-UHFFFAOYSA-N
XLogP1.49
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144
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
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 86868037

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of 5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride (CID 120891118) is 5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for 5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride is COCC1(CNC(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)CCNCC1.Cl.
What is the InChIKey of 5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The InChIKey is BXRJDHRYMPXVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O3.ClH/c1-26-10-17(3-5-19-6-4-17)9-20-16(25)12-7-13(18)14(8-15(12)27-2)24-11-21-22-23-24;/h7-8,11,19H,3-6,9-10H2,1-2H3,(H,20,25);1H.
What are the key properties of 5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride has a molecular weight of 431.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(tetrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 120891118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).