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

C22H26Cl2N6O — CID 175654218

IUPAC1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(C(c2ccc(Cl)cc2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C22H25ClN6O.ClH/c23-19-8-6-17(7-9-19)20(28-13-11-18(12-14-28)21(24)30)22-25-26-27-29(22)15-10-16-4-2-1-3-5-16;/h1-9,18,20H,10-15H2,(H2,24,30);1H
InChIKeyDANGHJSMEVTSHT-UHFFFAOYSA-N
MW461.40 g/mol
LogP3.28
Rot. Bonds7

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

1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 175654218) has the molecular formula C22H26Cl2N6O and a molecular weight of 461.40 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID175654218
Molecular FormulaC22H26Cl2N6O
Molecular Weight461.40 g/mol
Exact Mass460.15
IUPAC Name1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(C(c2ccc(Cl)cc2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C22H25ClN6O.ClH/c23-19-8-6-17(7-9-19)20(28-13-11-18(12-14-28)21(24)30)22-25-26-27-29(22)15-10-16-4-2-1-3-5-16;/h1-9,18,20H,10-15H2,(H2,24,30);1H
InChIKeyDANGHJSMEVTSHT-UHFFFAOYSA-N
XLogP3.28
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 171668058
1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210366
1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1449106
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
CID 3210464
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane
CID 167662608
1-[(4-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209990
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171668401
1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209845
1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1446597
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 7391572
1-[(S)-(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7396384

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride (CID 175654218) is 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride is Cl.NC(=O)C1CCN(C(c2ccc(Cl)cc2)c2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is DANGHJSMEVTSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O.ClH/c23-19-8-6-17(7-9-19)20(28-13-11-18(12-14-28)21(24)30)22-25-26-27-29(22)15-10-16-4-2-1-3-5-16;/h1-9,18,20H,10-15H2,(H2,24,30);1H.
What are the key properties of 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride?
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 461.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 175654218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).