1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide

C19H20N6O3 — CID 75909705

IUPAC1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)C2CCCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C19H20N6O3/c1-24-17(21-22-23-24)13-6-4-7-14(12-13)20-18(26)15-8-2-3-10-25(15)19(27)16-9-5-11-28-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3,(H,20,26)
InChIKeyLFDZLIWMBCJXNL-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.10
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide

1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide (PubChem CID 75909705) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide
PubChem CID75909705
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)C2CCCCN2C(=O)c2ccco2)c1
InChIInChI=1S/C19H20N6O3/c1-24-17(21-22-23-24)13-6-4-7-14(12-13)20-18(26)15-8-2-3-10-25(15)19(27)16-9-5-11-28-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3,(H,20,26)
InChIKeyLFDZLIWMBCJXNL-UHFFFAOYSA-N
XLogP2.10
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 51960803
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 60551969
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
CID 99589299
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 119224814
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 94809063
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide (CID 75909705) is 1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide is Cn1nnnc1-c1cccc(NC(=O)C2CCCCN2C(=O)c2ccco2)c1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is LFDZLIWMBCJXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-24-17(21-22-23-24)13-6-4-7-14(12-13)20-18(26)15-8-2-3-10-25(15)19(27)16-9-5-11-28-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3,(H,20,26).
What are the key properties of 1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide?
1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 75909705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).