1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide

C22H26N6O — CID 1446198

IUPAC1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C22H26N6O/c1-16-7-9-18(10-8-16)20(27-13-11-19(12-14-27)21(23)29)22-24-25-26-28(22)15-17-5-3-2-4-6-17/h2-10,19-20H,11-15H2,1H3,(H2,23,29)/t20-/m1/s1
InChIKeyAUZUYEAFOHDDKD-HXUWFJFHSA-N
MW390.49 g/mol
LogP2.32
Rot. Bonds6

About 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide

1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 1446198) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID1446198
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C22H26N6O/c1-16-7-9-18(10-8-16)20(27-13-11-19(12-14-27)21(23)29)22-24-25-26-28(22)15-17-5-3-2-4-6-17/h2-10,19-20H,11-15H2,1H3,(H2,23,29)/t20-/m1/s1
InChIKeyAUZUYEAFOHDDKD-HXUWFJFHSA-N
XLogP2.32
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175654218
1-[(4-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209990
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
CID 653622
[4-[(S)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1446169
ethyl 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylate
CID 3229294
1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210027
1-benzyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209973
1-[(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210366

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 1446198) is 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is AUZUYEAFOHDDKD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N6O/c1-16-7-9-18(10-8-16)20(27-13-11-19(12-14-27)21(23)29)22-24-25-26-28(22)15-17-5-3-2-4-6-17/h2-10,19-20H,11-15H2,1H3,(H2,23,29)/t20-/m1/s1.
What are the key properties of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1446198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).