N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide

C18H27N5OS — CID 26355311

IUPACN,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(C)s3)C2)nn1
InChIInChI=1S/C18H27N5OS/c1-4-22(5-2)18(24)17-13-23(20-19-17)15-7-6-10-21(11-15)12-16-9-8-14(3)25-16/h8-9,13,15H,4-7,10-12H2,1-3H3/t15-/m1/s1
InChIKeyVFJGHRPIBMYVNO-OAHLLOKOSA-N
MW361.52 g/mol
LogP2.97
Rot. Bonds6

About N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide

N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide (PubChem CID 26355311) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
PubChem CID26355311
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC NameN,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(C)s3)C2)nn1
InChIInChI=1S/C18H27N5OS/c1-4-22(5-2)18(24)17-13-23(20-19-17)15-7-6-10-21(11-15)12-16-9-8-14(3)25-16/h8-9,13,15H,4-7,10-12H2,1-3H3/t15-/m1/s1
InChIKeyVFJGHRPIBMYVNO-OAHLLOKOSA-N
XLogP2.97
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45213295
1-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 25326216
N,N-diethyl-1-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26341567
methyl 4-[[3-[4-(diethylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 45244526
N,N-diethyl-1-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]triazole-4-carboxamide
CID 45205536
N,N-diethyl-1-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26358274
1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 45199833
N,N-diethyl-1-[(3S)-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 42435625
N,N-diethyl-1-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45250697
N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 25328000
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 42471628
1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 45227883

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide (CID 26355311) is N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(C)s3)C2)nn1.
What is the InChIKey of N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is VFJGHRPIBMYVNO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-4-22(5-2)18(24)17-13-23(20-19-17)15-7-6-10-21(11-15)12-16-9-8-14(3)25-16/h8-9,13,15H,4-7,10-12H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide?
N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 361.52 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 26355311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).