1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide

C25H32N6O5 — CID 1446928

IUPAC1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2nnnc2[C@H](c2cc(OC)c(OC)c(OC)c2)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C25H32N6O5/c1-33-19-7-5-16(6-8-19)15-31-25(27-28-29-31)22(30-11-9-17(10-12-30)24(26)32)18-13-20(34-2)23(36-4)21(14-18)35-3/h5-8,13-14,17,22H,9-12,15H2,1-4H3,(H2,26,32)/t22-/m0/s1
InChIKeyVORAYAJSXFJZAL-QFIPXVFZSA-N
MW496.57 g/mol
LogP2.04
Rot. Bonds10

About 1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide

1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 1446928) has the molecular formula C25H32N6O5 and a molecular weight of 496.57 g/mol. Its IUPAC name is 1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID1446928
Molecular FormulaC25H32N6O5
Molecular Weight496.57 g/mol
Exact Mass496.24
IUPAC Name1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2nnnc2[C@H](c2cc(OC)c(OC)c(OC)c2)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C25H32N6O5/c1-33-19-7-5-16(6-8-19)15-31-25(27-28-29-31)22(30-11-9-17(10-12-30)24(26)32)18-13-20(34-2)23(36-4)21(14-18)35-3/h5-8,13-14,17,22H,9-12,15H2,1-4H3,(H2,26,32)/t22-/m0/s1
InChIKeyVORAYAJSXFJZAL-QFIPXVFZSA-N
XLogP2.04
TPSA126.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[(4-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209990
1-[(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3210027
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)-(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 6986114
1-[(R)-(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 6986113
1-[(S)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1448570
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine
CID 7382888
1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidin-1-ium-4-carboxamide
CID 7396697
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433889

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 1446928) is 1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(Cn2nnnc2[C@H](c2cc(OC)c(OC)c(OC)c2)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VORAYAJSXFJZAL-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N6O5/c1-33-19-7-5-16(6-8-19)15-31-25(27-28-29-31)22(30-11-9-17(10-12-30)24(26)32)18-13-20(34-2)23(36-4)21(14-18)35-3/h5-8,13-14,17,22H,9-12,15H2,1-4H3,(H2,26,32)/t22-/m0/s1.
What are the key properties of 1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1446928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).