N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide

C22H23N5O3 — CID 86935480

IUPACN-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC(c3nncn3C3CC3)C2)cc1)c1ccco1
InChIInChI=1S/C22H23N5O3/c28-21(19-4-2-12-30-19)24-17-7-5-15(6-8-17)22(29)26-11-1-3-16(13-26)20-25-23-14-27(20)18-9-10-18/h2,4-8,12,14,16,18H,1,3,9-11,13H2,(H,24,28)
InChIKeyBVRIYPMSTIWNTJ-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.48
Rot. Bonds5

About N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide

N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 86935480) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID86935480
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC(c3nncn3C3CC3)C2)cc1)c1ccco1
InChIInChI=1S/C22H23N5O3/c28-21(19-4-2-12-30-19)24-17-7-5-15(6-8-17)22(29)26-11-1-3-16(13-26)20-25-23-14-27(20)18-9-10-18/h2,4-8,12,14,16,18H,1,3,9-11,13H2,(H,24,28)
InChIKeyBVRIYPMSTIWNTJ-UHFFFAOYSA-N
XLogP3.48
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86935485
N-[4-[3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86936617
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86946923
N-(4-chlorophenyl)-5-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088399
N-(4-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50817034
N-(4-chlorophenyl)-5-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50817085
N-[4-(2-pyridin-4-ylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 24670276
(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
CID 97349966
furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone
CID 164633720
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95111313

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 86935480) is N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC(c3nncn3C3CC3)C2)cc1)c1ccco1.
What is the InChIKey of N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is BVRIYPMSTIWNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-21(19-4-2-12-30-19)24-17-7-5-15(6-8-17)22(29)26-11-1-3-16(13-26)20-25-23-14-27(20)18-9-10-18/h2,4-8,12,14,16,18H,1,3,9-11,13H2,(H,24,28).
What are the key properties of N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86935480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).