N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C22H30FN5O — CID 91777653

IUPACN-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN3CCC(Cc4ccc(F)cc4)CC3)n2C)C1
InChIInChI=1S/C22H30FN5O/c1-15(29)24-20-12-18(13-20)22-26-25-21(27(22)2)14-28-9-7-17(8-10-28)11-16-3-5-19(23)6-4-16/h3-6,17-18,20H,7-14H2,1-2H3,(H,24,29)
InChIKeyOUXXACPNZWAJBV-UHFFFAOYSA-N
MW399.51 g/mol
LogP2.79
Rot. Bonds6

About N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91777653) has the molecular formula C22H30FN5O and a molecular weight of 399.51 g/mol. Its IUPAC name is N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91777653
Molecular FormulaC22H30FN5O
Molecular Weight399.51 g/mol
Exact Mass399.24
IUPAC NameN-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN3CCC(Cc4ccc(F)cc4)CC3)n2C)C1
InChIInChI=1S/C22H30FN5O/c1-15(29)24-20-12-18(13-20)22-26-25-21(27(22)2)14-28-9-7-17(8-10-28)11-16-3-5-19(23)6-4-16/h3-6,17-18,20H,7-14H2,1-2H3,(H,24,29)
InChIKeyOUXXACPNZWAJBV-UHFFFAOYSA-N
XLogP2.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91771292
N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91780598
3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91782942
3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91773371
3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide
CID 91769457
5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
CID 91796886
N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91767492
1-ethyl-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 138045779
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70740331
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91763936
1-[(2-ethylphenyl)methyl]-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70751340

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91777653) is N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CC(=O)NC1CC(c2nnc(CN3CCC(Cc4ccc(F)cc4)CC3)n2C)C1.
What is the InChIKey of N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is OUXXACPNZWAJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O/c1-15(29)24-20-12-18(13-20)22-26-25-21(27(22)2)14-28-9-7-17(8-10-28)11-16-3-5-19(23)6-4-16/h3-6,17-18,20H,7-14H2,1-2H3,(H,24,29).
What are the key properties of N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 399.51 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91777653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).