1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide

C20H30N6O2 — CID 3209951

IUPAC1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2nnnc2C(CC(C)C)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H30N6O2/c1-14(2)12-18(25-10-8-16(9-11-25)19(21)27)20-22-23-24-26(20)13-15-4-6-17(28-3)7-5-15/h4-7,14,16,18H,8-13H2,1-3H3,(H2,21,27)
InChIKeySALRKVJGTQZSOP-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.01
Rot. Bonds8

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

1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide (PubChem CID 3209951) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
PubChem CID3209951
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2nnnc2C(CC(C)C)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H30N6O2/c1-14(2)12-18(25-10-8-16(9-11-25)19(21)27)20-22-23-24-26(20)13-15-4-6-17(28-3)7-5-15/h4-7,14,16,18H,8-13H2,1-3H3,(H2,21,27)
InChIKeySALRKVJGTQZSOP-UHFFFAOYSA-N
XLogP2.01
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide (CID 3209951) is 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide is COc1ccc(Cn2nnnc2C(CC(C)C)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
The InChIKey is SALRKVJGTQZSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-14(2)12-18(25-10-8-16(9-11-25)19(21)27)20-22-23-24-26(20)13-15-4-6-17(28-3)7-5-15/h4-7,14,16,18H,8-13H2,1-3H3,(H2,21,27).
What are the key properties of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.01, 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]-3-methylbutyl]piperidine-4-carboxamide is sourced from PubChem (CID 3209951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).