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

C19H25Cl2N6O2- — CID 53313814

IUPAC1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride
SMILESNC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1.[Cl-]
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/p-1
InChIKeyQVOSRFJAIUIBGK-UHFFFAOYSA-M
MW440.36 g/mol
LogP-1.20
Rot. Bonds6

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

1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride (PubChem CID 53313814) has the molecular formula C19H25Cl2N6O2- and a molecular weight of 440.36 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride
PubChem CID53313814
Molecular FormulaC19H25Cl2N6O2-
Molecular Weight440.36 g/mol
Exact Mass439.14
IUPAC Name1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride
SMILESNC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1.[Cl-]
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/p-1
InChIKeyQVOSRFJAIUIBGK-UHFFFAOYSA-M
XLogP-1.20
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.36
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1445973
1-[(S)-(2-methoxyphenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1445891
1-[(R)-(2-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 1445953
1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 51625813
1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210027
1-[(S)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7396157
1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 1445928
1-benzyl-4-[(R)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 51625801
5-[(R)-(4-methylphenyl)-pyrrolidin-1-ylmethyl]-1-[[(2S)-oxolan-2-yl]methyl]tetrazole
CID 861323
1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
CID 861168
1-[(S)-(4-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1445861
1-benzyl-4-[(R)-(2,5-dimethoxyphenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 51625819

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride?
The IUPAC name of 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride (CID 53313814) is 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride.
What is the SMILES notation for 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride?
The canonical SMILES for 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride is NC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2CC2CCCO2)CC1.[Cl-].
What is the InChIKey of 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride?
The InChIKey is QVOSRFJAIUIBGK-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride?
1-[(2-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide chloride has a molecular weight of 440.36 g/mol, XLogP of -1.20, 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 chloride is sourced from PubChem (CID 53313814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).