1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide

C18H25FN6O — CID 56911407

IUPAC1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
SMILESCN(C(=O)c1cn(CCN)nn1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H25FN6O/c1-23(18(26)17-13-25(10-8-20)22-21-17)15-6-4-9-24(12-15)11-14-5-2-3-7-16(14)19/h2-3,5,7,13,15H,4,6,8-12,20H2,1H3
InChIKeyLGLXYFJPTBBBAT-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.11
Rot. Bonds6

About 1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide

1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide (PubChem CID 56911407) has the molecular formula C18H25FN6O and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
PubChem CID56911407
Molecular FormulaC18H25FN6O
Molecular Weight360.44 g/mol
Exact Mass360.21
IUPAC Name1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
SMILESCN(C(=O)c1cn(CCN)nn1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H25FN6O/c1-23(18(26)17-13-25(10-8-20)22-21-17)15-6-4-9-24(12-15)11-14-5-2-3-7-16(14)19/h2-3,5,7,13,15H,4,6,8-12,20H2,1H3
InChIKeyLGLXYFJPTBBBAT-UHFFFAOYSA-N
XLogP1.11
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 95894612
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 26326522
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42341590
N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide
CID 139008017
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24791341
N,N-diethyl-1-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26341567
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 45219753
2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
CID 95716393
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45245401

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide (CID 56911407) is 1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide is CN(C(=O)c1cn(CCN)nn1)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide?
The InChIKey is LGLXYFJPTBBBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6O/c1-23(18(26)17-13-25(10-8-20)22-21-17)15-6-4-9-24(12-15)11-14-5-2-3-7-16(14)19/h2-3,5,7,13,15H,4,6,8-12,20H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide?
1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 56911407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).