1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide

C16H24N6O2 — CID 3210051

IUPAC1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide
SMILESCC(C)C(c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H24N6O2/c1-11(2)14(21-7-5-12(6-8-21)15(17)23)16-18-19-20-22(16)10-13-4-3-9-24-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H2,17,23)
InChIKeyJTBBTFZTBGTMMH-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.21
Rot. Bonds6

About 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide

1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide (PubChem CID 3210051) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide
PubChem CID3210051
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide
SMILESCC(C)C(c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H24N6O2/c1-11(2)14(21-7-5-12(6-8-21)15(17)23)16-18-19-20-22(16)10-13-4-3-9-24-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H2,17,23)
InChIKeyJTBBTFZTBGTMMH-UHFFFAOYSA-N
XLogP1.21
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide (CID 3210051) is 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide is CC(C)C(c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide?
The InChIKey is JTBBTFZTBGTMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11(2)14(21-7-5-12(6-8-21)15(17)23)16-18-19-20-22(16)10-13-4-3-9-24-13/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H2,17,23).
What are the key properties of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide?
1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 3210051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).