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

C19H29N3O2S — CID 72908318

IUPACN,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(s1)CCN(C(=O)CCCN1CCCCC1)C2
InChIInChI=1S/C19H29N3O2S/c1-20(2)19(24)17-13-15-14-22(12-8-16(15)25-17)18(23)7-6-11-21-9-4-3-5-10-21/h13H,3-12,14H2,1-2H3
InChIKeyHNJZAGAEHSKYCW-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.60
Rot. Bonds5

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

N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 72908318) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID72908318
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(s1)CCN(C(=O)CCCN1CCCCC1)C2
InChIInChI=1S/C19H29N3O2S/c1-20(2)19(24)17-13-15-14-22(12-8-16(15)25-17)18(23)7-6-11-21-9-4-3-5-10-21/h13H,3-12,14H2,1-2H3
InChIKeyHNJZAGAEHSKYCW-UHFFFAOYSA-N
XLogP2.60
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 72908318) is N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CN(C)C(=O)c1cc2c(s1)CCN(C(=O)CCCN1CCCCC1)C2.
What is the InChIKey of N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is HNJZAGAEHSKYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-20(2)19(24)17-13-15-14-22(12-8-16(15)25-17)18(23)7-6-11-21-9-4-3-5-10-21/h13H,3-12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4-piperidin-1-ylbutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 72908318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).