2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide

C16H20FN7O2 — CID 118776596

IUPAC2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)Nc2cc(-n3cnnc3)ccc2F)CC1
InChIInChI=1S/C16H20FN7O2/c17-13-2-1-12(24-9-19-20-10-24)7-14(13)22-16(26)21-11-3-5-23(6-4-11)8-15(18)25/h1-2,7,9-11H,3-6,8H2,(H2,18,25)(H2,21,22,26)
InChIKeyHCVBDWHCVIXELH-UHFFFAOYSA-N
MW361.38 g/mol
LogP0.48
Rot. Bonds5

About 2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide

2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide (PubChem CID 118776596) has the molecular formula C16H20FN7O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide
PubChem CID118776596
Molecular FormulaC16H20FN7O2
Molecular Weight361.38 g/mol
Exact Mass361.17
IUPAC Name2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)Nc2cc(-n3cnnc3)ccc2F)CC1
InChIInChI=1S/C16H20FN7O2/c17-13-2-1-12(24-9-19-20-10-24)7-14(13)22-16(26)21-11-3-5-23(6-4-11)8-15(18)25/h1-2,7,9-11H,3-6,8H2,(H2,18,25)(H2,21,22,26)
InChIKeyHCVBDWHCVIXELH-UHFFFAOYSA-N
XLogP0.48
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-ethoxy-3-pyridinyl)carbamoylamino]piperidin-1-yl]acetamide
CID 56809245
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide
CID 134047749
1-[(4-acetylmorpholin-2-yl)methyl]-3-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]urea
CID 118764614
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea
CID 60545704
1-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118772205
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
2-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chlorobenzamide
CID 61140773
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118784099

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide (CID 118776596) is 2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NC(=O)Nc2cc(-n3cnnc3)ccc2F)CC1.
What is the InChIKey of 2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide?
The InChIKey is HCVBDWHCVIXELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN7O2/c17-13-2-1-12(24-9-19-20-10-24)7-14(13)22-16(26)21-11-3-5-23(6-4-11)8-15(18)25/h1-2,7,9-11H,3-6,8H2,(H2,18,25)(H2,21,22,26).
What are the key properties of 2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide?
2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide has a molecular weight of 361.38 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]carbamoylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 118776596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).