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

C19H28N6O — CID 648991

IUPAC1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
SMILESCC(C)CCn1nnnc1C(c1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O/c1-14(2)8-13-25-19(21-22-23-25)17(15-6-4-3-5-7-15)24-11-9-16(10-12-24)18(20)26/h3-7,14,16-17H,8-13H2,1-2H3,(H2,20,26)
InChIKeyGNLIJWXOLAWIKS-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.01
Rot. Bonds7

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

1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide (PubChem CID 648991) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
PubChem CID648991
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
SMILESCC(C)CCn1nnnc1C(c1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O/c1-14(2)8-13-25-19(21-22-23-25)17(15-6-4-3-5-7-15)24-11-9-16(10-12-24)18(20)26/h3-7,14,16-17H,8-13H2,1-2H3,(H2,20,26)
InChIKeyGNLIJWXOLAWIKS-UHFFFAOYSA-N
XLogP2.01
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide (CID 648991) is 1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide is CC(C)CCn1nnnc1C(c1ccccc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is GNLIJWXOLAWIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14(2)8-13-25-19(21-22-23-25)17(15-6-4-3-5-7-15)24-11-9-16(10-12-24)18(20)26/h3-7,14,16-17H,8-13H2,1-2H3,(H2,20,26).
What are the key properties of 1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide?
1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 648991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).