N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C19H31N3OS — CID 53171259

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc3c(s2)CN(C(C)C)C3)CC1
InChIInChI=1S/C19H31N3OS/c1-14(2)22-12-16-11-17(24-18(16)13-22)19(23)20-7-4-8-21-9-5-15(3)6-10-21/h11,14-15H,4-10,12-13H2,1-3H3,(H,20,23)
InChIKeyGTTXEDFNGRSOCB-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.32
Rot. Bonds6

About N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171259) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171259
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc3c(s2)CN(C(C)C)C3)CC1
InChIInChI=1S/C19H31N3OS/c1-14(2)22-12-16-11-17(24-18(16)13-22)19(23)20-7-4-8-21-9-5-15(3)6-10-21/h11,14-15H,4-10,12-13H2,1-3H3,(H,20,23)
InChIKeyGTTXEDFNGRSOCB-UHFFFAOYSA-N
XLogP3.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopentyl-N-(3-piperidin-1-ylpropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171311
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 111434010
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43443281
3-(4-chlorophenyl)-1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 20858236
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
N-(3-piperazin-1-ylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119393555
5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171183
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
CID 20963426
N-[3-[[ethylamino-[3-(4-methylpiperidin-1-yl)propylamino]methylidene]amino]propyl]thiophene-2-carboxamide
CID 111387171

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171259) is N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CC1CCN(CCCNC(=O)c2cc3c(s2)CN(C(C)C)C3)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is GTTXEDFNGRSOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-14(2)22-12-16-11-17(24-18(16)13-22)19(23)20-7-4-8-21-9-5-15(3)6-10-21/h11,14-15H,4-10,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 349.54 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).