1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide

C19H29N3O2S — CID 47089988

IUPAC1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(C)C(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C19H29N3O2S/c1-13(2)20-18(23)15-4-8-21(9-5-15)14(3)19(24)22-10-6-17-16(12-22)7-11-25-17/h7,11,13-15H,4-6,8-10,12H2,1-3H3,(H,20,23)
InChIKeyWCCNNMQSAOTAPT-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.26
Rot. Bonds4

About 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide

1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 47089988) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID47089988
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(C)C(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C19H29N3O2S/c1-13(2)20-18(23)15-4-8-21(9-5-15)14(3)19(24)22-10-6-17-16(12-22)7-11-25-17/h7,11,13-15H,4-6,8-10,12H2,1-3H3,(H,20,23)
InChIKeyWCCNNMQSAOTAPT-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

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1-[(4-methylpiperidin-1-yl)sulfonyl]-N-(thien-2-ylmethyl)piperidine-4-carboxamide
CID 3239787
(2S)-1-[(2S,4S)-4-[2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 46938706
2-(2-methylbutylamino)-1-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 71738783
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
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2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide
CID 4535556
N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]-2-methylpropanamide
CID 4654599
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 9551603
N-isopropyl-1'-[(2E)-3-(2-thienyl)-2-propenoyl]-1,4'-bipiperidine-4-carboxamide
CID 16190389
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)pivalamide
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 47089988) is 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C(C)C(=O)N2CCc3sccc3C2)CC1.
What is the InChIKey of 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is WCCNNMQSAOTAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-13(2)20-18(23)15-4-8-21(9-5-15)14(3)19(24)22-10-6-17-16(12-22)7-11-25-17/h7,11,13-15H,4-6,8-10,12H2,1-3H3,(H,20,23).
What are the key properties of 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 47089988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).