1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride

C19H26Cl2N6O2 — CID 6602569

IUPAC1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C19H25ClN6O2.ClH/c20-16-6-2-1-5-15(16)17(25-9-7-13(8-10-25)18(21)27)19-22-23-24-26(19)12-14-4-3-11-28-14;/h1-2,5-6,13-14,17H,3-4,7-12H2,(H2,21,27);1H
InChIKeyQVOSRFJAIUIBGK-UHFFFAOYSA-N
MW441.36 g/mol
LogP2.21
Rot. Bonds6

About 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride

1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 6602569) has the molecular formula C19H26Cl2N6O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID6602569
Molecular FormulaC19H26Cl2N6O2
Molecular Weight441.36 g/mol
Exact Mass440.15
IUPAC Name1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C19H25ClN6O2.ClH/c20-16-6-2-1-5-15(16)17(25-9-7-13(8-10-25)18(21)27)19-22-23-24-26(19)12-14-4-3-11-28-14;/h1-2,5-6,13-14,17H,3-4,7-12H2,(H2,21,27);1H
InChIKeyQVOSRFJAIUIBGK-UHFFFAOYSA-N
XLogP2.21
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride (CID 6602569) is 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride is Cl.NC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is QVOSRFJAIUIBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O2.ClH/c20-16-6-2-1-5-15(16)17(25-9-7-13(8-10-25)18(21)27)19-22-23-24-26(19)12-14-4-3-11-28-14;/h1-2,5-6,13-14,17H,3-4,7-12H2,(H2,21,27);1H.
What are the key properties of 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 441.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 6602569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).