methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate

C15H18ClN5O2 — CID 167966457

IUPACmethyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(CN2CCCCC2c2nn[nH]n2)c1Cl
InChIInChI=1S/C15H18ClN5O2/c1-23-15(22)11-6-4-5-10(13(11)16)9-21-8-3-2-7-12(21)14-17-19-20-18-14/h4-6,12H,2-3,7-9H2,1H3,(H,17,18,19,20)
InChIKeyTUQCQYVUWGYCOU-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.37
Rot. Bonds4

About methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate

methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate (PubChem CID 167966457) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate
PubChem CID167966457
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Namemethyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(CN2CCCCC2c2nn[nH]n2)c1Cl
InChIInChI=1S/C15H18ClN5O2/c1-23-15(22)11-6-4-5-10(13(11)16)9-21-8-3-2-7-12(21)14-17-19-20-18-14/h4-6,12H,2-3,7-9H2,1H3,(H,17,18,19,20)
InChIKeyTUQCQYVUWGYCOU-UHFFFAOYSA-N
XLogP2.37
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate with MolForge

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Related Compounds

1-[(2-amino-3-methoxycarbonylphenyl)methyl]piperidine-2-carboxylic acid
CID 69177483
methyl 2-chloro-3-[(7-chloroindol-1-yl)methyl]benzoate
CID 171842260
methyl 2-[(2-ethylpyrrolidin-1-yl)methyl]benzoate
CID 82969492
methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117147526
2-chloro-3-[[2-[[3-(trifluoromethyl)diazirin-3-yl]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 167873404
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147556
methyl 4-[[(2R)-2-thiophen-2-ylazepan-1-yl]methyl]benzoate
CID 92877986
methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117136523
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 124992115
1-[2-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95836477
methyl 2-chloro-3-prop-2-enylbenzoate
CID 174461758

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate (CID 167966457) is methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate is COC(=O)c1cccc(CN2CCCCC2c2nn[nH]n2)c1Cl.
What is the InChIKey of methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate?
The InChIKey is TUQCQYVUWGYCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-23-15(22)11-6-4-5-10(13(11)16)9-21-8-3-2-7-12(21)14-17-19-20-18-14/h4-6,12H,2-3,7-9H2,1H3,(H,17,18,19,20).
What are the key properties of methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate?
methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate has a molecular weight of 335.80 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[[2-(2H-tetrazol-5-yl)piperidin-1-yl]methyl]benzoate is sourced from PubChem (CID 167966457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).