5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C18H25N3O3S — CID 97148888

IUPAC5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCN1C[C@@H](C(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)CCC1=O
InChIInChI=1S/C18H25N3O3S/c1-4-20-10-12(5-6-16(20)22)17(23)21-8-7-14-13(11-21)9-15(25-14)18(24)19(2)3/h9,12H,4-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyXVFVXQPBUONWBC-LBPRGKRZSA-N
MW363.48 g/mol
LogP1.59
Rot. Bonds3

About 5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 97148888) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID97148888
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCCN1C[C@@H](C(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)CCC1=O
InChIInChI=1S/C18H25N3O3S/c1-4-20-10-12(5-6-16(20)22)17(23)21-8-7-14-13(11-21)9-15(25-14)18(24)19(2)3/h9,12H,4-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyXVFVXQPBUONWBC-LBPRGKRZSA-N
XLogP1.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97270670
5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 77085732
5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97208038
N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 72909816
5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97112365
(5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
CID 97136809
2-N,2-N-dimethyl-5-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxamide
CID 72938591
5-acetyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158788
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N,N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 71836529
N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
CID 166367740
1-[2-[methyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235962
5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158808

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 97148888) is 5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CCN1C[C@@H](C(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)CCC1=O.
What is the InChIKey of 5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is XVFVXQPBUONWBC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-20-10-12(5-6-16(20)22)17(23)21-8-7-14-13(11-21)9-15(25-14)18(24)19(2)3/h9,12H,4-8,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 97148888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).