N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide

C20H27FN6O — CID 119883922

IUPACN-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)c2cn(C3CCNCC3)nn2)C1
InChIInChI=1S/C20H27FN6O/c1-14-11-15(21)4-5-19(14)26-10-2-3-16(12-26)23-20(28)18-13-27(25-24-18)17-6-8-22-9-7-17/h4-5,11,13,16-17,22H,2-3,6-10,12H2,1H3,(H,23,28)
InChIKeyPPNMCOPWDHLGHM-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide

N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119883922) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119883922
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC NameN-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)c2cn(C3CCNCC3)nn2)C1
InChIInChI=1S/C20H27FN6O/c1-14-11-15(21)4-5-19(14)26-10-2-3-16(12-26)23-20(28)18-13-27(25-24-18)17-6-8-22-9-7-17/h4-5,11,13,16-17,22H,2-3,6-10,12H2,1H3,(H,23,28)
InChIKeyPPNMCOPWDHLGHM-UHFFFAOYSA-N
XLogP2.05
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-fluorophenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119884129
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119862379
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 124565601
N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855967
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 126784193
(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636999
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 136520325

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119883922) is N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1cc(F)ccc1N1CCCC(NC(=O)c2cn(C3CCNCC3)nn2)C1.
What is the InChIKey of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PPNMCOPWDHLGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O/c1-14-11-15(21)4-5-19(14)26-10-2-3-16(12-26)23-20(28)18-13-27(25-24-18)17-6-8-22-9-7-17/h4-5,11,13,16-17,22H,2-3,6-10,12H2,1H3,(H,23,28).
What are the key properties of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119883922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).