N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

C19H18ClN5O3 — CID 34066852

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18ClN5O3/c20-14-3-4-16(25-12-21-11-22-25)15(10-14)23-18(26)13-5-7-24(8-6-13)19(27)17-2-1-9-28-17/h1-4,9-13H,5-8H2,(H,23,26)
InChIKeyHHPYSCUEOYZGFK-UHFFFAOYSA-N
MW399.84 g/mol
LogP3.00
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 34066852) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID34066852
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18ClN5O3/c20-14-3-4-16(25-12-21-11-22-25)15(10-14)23-18(26)13-5-7-24(8-6-13)19(27)17-2-1-9-28-17/h1-4,9-13H,5-8H2,(H,23,26)
InChIKeyHHPYSCUEOYZGFK-UHFFFAOYSA-N
XLogP3.00
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944759
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17081680
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 18090216
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46796952
(3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide
CID 81119792
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
cis-(1S,3R)-3-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391756
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylfuran-3-carboxamide
CID 78808953
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583209
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 34066852) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is HHPYSCUEOYZGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c20-14-3-4-16(25-12-21-11-22-25)15(10-14)23-18(26)13-5-7-24(8-6-13)19(27)17-2-1-9-28-17/h1-4,9-13H,5-8H2,(H,23,26).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 399.84 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 34066852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).