1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride

C19H29ClN6O2 — CID 6603116

IUPAC1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C19H28N6O2.ClH/c1-3-4-17(24-11-9-15(10-12-24)18(20)26)19-21-22-23-25(19)13-14-5-7-16(27-2)8-6-14;/h5-8,15,17H,3-4,9-13H2,1-2H3,(H2,20,26);1H
InChIKeyZDRKWGOUDPTTFX-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.19
Rot. Bonds8

About 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride

1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 6603116) has the molecular formula C19H29ClN6O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride
PubChem CID6603116
Molecular FormulaC19H29ClN6O2
Molecular Weight408.93 g/mol
Exact Mass408.20
IUPAC Name1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride
SMILESCCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C19H28N6O2.ClH/c1-3-4-17(24-11-9-15(10-12-24)18(20)26)19-21-22-23-25(19)13-14-5-7-16(27-2)8-6-14;/h5-8,15,17H,3-4,9-13H2,1-2H3,(H2,20,26);1H
InChIKeyZDRKWGOUDPTTFX-UHFFFAOYSA-N
XLogP2.19
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-(2-methoxybenzyl)acetamide
CID 23723238
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 645765
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 654515
1-[1-[1-[(4-Methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
CID 3209951
1-{(2-Chloro-phenyl)-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-piperidine-4-carboxylic acid amide
CID 3210027
1-[1-[1-(1,3-Benzodioxol-5-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 3210158
1-Cyclopentyl-4-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperazine
CID 6602647
1-({1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-1H-tetrazol-5-yl}-phenyl-methyl)-4-methyl-piperazine
CID 6603054
1-Cyclopentyl-4-[(4-methoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6603101
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-methyl-piperidine
CID 6603172
1-Ethyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 16192914

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride (CID 6603116) is 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride is CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1.Cl.
What is the InChIKey of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZDRKWGOUDPTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.ClH/c1-3-4-17(24-11-9-15(10-12-24)18(20)26)19-21-22-23-25(19)13-14-5-7-16(27-2)8-6-14;/h5-8,15,17H,3-4,9-13H2,1-2H3,(H2,20,26);1H.
What are the key properties of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride?
1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 6603116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).