[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone

C16H21ClN6O2 — CID 119396075

IUPAC[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)C1
InChIInChI=1S/C16H21ClN6O2/c1-18-8-11-4-3-5-22(9-11)16(24)12-6-13(17)14(7-15(12)25-2)23-10-19-20-21-23/h6-7,10-11,18H,3-5,8-9H2,1-2H3
InChIKeyONUHHXULSMGXNX-UHFFFAOYSA-N
MW364.84 g/mol
LogP1.40
Rot. Bonds5

About [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone

[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119396075) has the molecular formula C16H21ClN6O2 and a molecular weight of 364.84 g/mol. Its IUPAC name is [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119396075
Molecular FormulaC16H21ClN6O2
Molecular Weight364.84 g/mol
Exact Mass364.14
IUPAC Name[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)C1
InChIInChI=1S/C16H21ClN6O2/c1-18-8-11-4-3-5-22(9-11)16(24)12-6-13(17)14(7-15(12)25-2)23-10-19-20-21-23/h6-7,10-11,18H,3-5,8-9H2,1-2H3
InChIKeyONUHHXULSMGXNX-UHFFFAOYSA-N
XLogP1.40
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 131960710
[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512126
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996324
[4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 55774799
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]methanone
CID 120809267
[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119397457
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55791493
(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 75501375
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398683
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide
CID 119746036
(2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124688075

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119396075) is [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)C1.
What is the InChIKey of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is ONUHHXULSMGXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O2/c1-18-8-11-4-3-5-22(9-11)16(24)12-6-13(17)14(7-15(12)25-2)23-10-19-20-21-23/h6-7,10-11,18H,3-5,8-9H2,1-2H3.
What are the key properties of [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 364.84 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119396075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).