1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide

C22H25ClN6O2 — CID 3210027

IUPAC1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2Cl)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C22H25ClN6O2/c1-31-17-8-6-15(7-9-17)14-29-22(25-26-27-29)20(18-4-2-3-5-19(18)23)28-12-10-16(11-13-28)21(24)30/h2-9,16,20H,10-14H2,1H3,(H2,24,30)
InChIKeyQXYNGIZQMWQOJY-UHFFFAOYSA-N
MW440.94 g/mol
LogP2.67
Rot. Bonds7

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

1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 3210027) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID3210027
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC Name1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2Cl)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C22H25ClN6O2/c1-31-17-8-6-15(7-9-17)14-29-22(25-26-27-29)20(18-4-2-3-5-19(18)23)28-12-10-16(11-13-28)21(24)30/h2-9,16,20H,10-14H2,1H3,(H2,24,30)
InChIKeyQXYNGIZQMWQOJY-UHFFFAOYSA-N
XLogP2.67
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209990
1-[(S)-(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685587
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1446928
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171668401
1-[(R)-(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 6986113
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
1-[(S)-(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 6986114
1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1446597
1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209845
1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidin-1-ium-4-carboxamide
CID 7396697
1-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1445973
1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1448570

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide (CID 3210027) is 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc(Cn2nnnc2C(c2ccccc2Cl)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is QXYNGIZQMWQOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-31-17-8-6-15(7-9-17)14-29-22(25-26-27-29)20(18-4-2-3-5-19(18)23)28-12-10-16(11-13-28)21(24)30/h2-9,16,20H,10-14H2,1H3,(H2,24,30).
What are the key properties of 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 440.94 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3210027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).