N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C19H29N3O2S — CID 72909816

IUPACN,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCN1CCCC(CCC(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)C1
InChIInChI=1S/C19H29N3O2S/c1-20(2)19(24)17-11-15-13-22(10-8-16(15)25-17)18(23)7-6-14-5-4-9-21(3)12-14/h11,14H,4-10,12-13H2,1-3H3
InChIKeyFVLYHVSMUVNKJK-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.46
Rot. Bonds4

About N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 72909816) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID72909816
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCN1CCCC(CCC(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)C1
InChIInChI=1S/C19H29N3O2S/c1-20(2)19(24)17-11-15-13-22(10-8-16(15)25-17)18(23)7-6-14-5-4-9-21(3)12-14/h11,14H,4-10,12-13H2,1-3H3
InChIKeyFVLYHVSMUVNKJK-UHFFFAOYSA-N
XLogP2.46
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.46
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
1-pyrrolidin-1-yl-3-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]propan-1-one
CID 45204269
5-[(3S)-1-ethyl-6-oxopiperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97148888
5-(2,3-dihydro-1H-indene-1-carbonyl)-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 77085732
1-[(3-methylphenyl)methyl]-4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-2-one
CID 95142391
4-(2-ethoxycarbonyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid
CID 155162537
ethyl 5-(4-hydroxybutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
CID 145400573
5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158844
1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one
CID 72883560
5-[(3-hydroxypiperidin-3-yl)methyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 70735627
N-methyl-3-(1-methylpiperidin-3-yl)propanehydrazide
CID 116845050
3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 26393375

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 72909816) is N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CN1CCCC(CCC(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)C1.
What is the InChIKey of N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is FVLYHVSMUVNKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-20(2)19(24)17-11-15-13-22(10-8-16(15)25-17)18(23)7-6-14-5-4-9-21(3)12-14/h11,14H,4-10,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-(1-methylpiperidin-3-yl)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 72909816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).