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

C16H24N6O2 — CID 645823

IUPAC1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCCCC(c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H24N6O2/c1-2-4-14(21-8-6-12(7-9-21)15(17)23)16-18-19-20-22(16)11-13-5-3-10-24-13/h3,5,10,12,14H,2,4,6-9,11H2,1H3,(H2,17,23)
InChIKeyFGNRXJPEIYZYNK-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.35
Rot. Bonds7

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

1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide (PubChem CID 645823) 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]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
PubChem CID645823
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCCCC(c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H24N6O2/c1-2-4-14(21-8-6-12(7-9-21)15(17)23)16-18-19-20-22(16)11-13-5-3-10-24-13/h3,5,10,12,14H,2,4,6-9,11H2,1H3,(H2,17,23)
InChIKeyFGNRXJPEIYZYNK-UHFFFAOYSA-N
XLogP1.35
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.35
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]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide (CID 645823) is 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide is CCCC(c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The InChIKey is FGNRXJPEIYZYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-2-4-14(21-8-6-12(7-9-21)15(17)23)16-18-19-20-22(16)11-13-5-3-10-24-13/h3,5,10,12,14H,2,4,6-9,11H2,1H3,(H2,17,23).
What are the key properties of 1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
1-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.35, 7 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]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 645823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).