1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide

C17H26N6O2 — CID 857808

IUPAC1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)C[C@@H](c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H26N6O2/c1-12(2)10-15(22-7-5-13(6-8-22)16(18)24)17-19-20-21-23(17)11-14-4-3-9-25-14/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3,(H2,18,24)/t15-/m0/s1
InChIKeyXCAHYNXEMCEZSU-HNNXBMFYSA-N
MW346.44 g/mol
LogP1.60
Rot. Bonds7

About 1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide

1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide (PubChem CID 857808) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
PubChem CID857808
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)C[C@@H](c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H26N6O2/c1-12(2)10-15(22-7-5-13(6-8-22)16(18)24)17-19-20-21-23(17)11-14-4-3-9-25-14/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3,(H2,18,24)/t15-/m0/s1
InChIKeyXCAHYNXEMCEZSU-HNNXBMFYSA-N
XLogP1.60
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 3210263
1-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]-4-methylpiperazine
CID 1447111
1-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 648515
1-(4-fluorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 1447118
1-(2-fluorophenyl)-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 3210063
1-(5-chloro-2-methylphenyl)-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 3210060
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
CID 653622
1-ethyl-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 855392
1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
CID 3210464
1-(3-chlorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 1447031
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
1-(4-fluorophenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 1447045

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide (CID 857808) is 1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide is CC(C)C[C@@H](c1nnnn1Cc1ccco1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
The InChIKey is XCAHYNXEMCEZSU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-12(2)10-15(22-7-5-13(6-8-22)16(18)24)17-19-20-21-23(17)11-14-4-3-9-25-14/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3,(H2,18,24)/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide is sourced from PubChem (CID 857808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).