N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide

C17H21N3O2S — CID 20883468

IUPACN-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
SMILESCn1c(C(=O)N2CCCC(C(=O)NC3CC3)C2)cc2sccc21
InChIInChI=1S/C17H21N3O2S/c1-19-13-6-8-23-15(13)9-14(19)17(22)20-7-2-3-11(10-20)16(21)18-12-4-5-12/h6,8-9,11-12H,2-5,7,10H2,1H3,(H,18,21)
InChIKeyFNUXDSUVKWBKOP-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.37
Rot. Bonds3

About N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide

N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 20883468) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
PubChem CID20883468
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
SMILESCn1c(C(=O)N2CCCC(C(=O)NC3CC3)C2)cc2sccc21
InChIInChI=1S/C17H21N3O2S/c1-19-13-6-8-23-15(13)9-14(19)17(22)20-7-2-3-11(10-20)16(21)18-12-4-5-12/h6,8-9,11-12H,2-5,7,10H2,1H3,(H,18,21)
InChIKeyFNUXDSUVKWBKOP-UHFFFAOYSA-N
XLogP2.37
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 5309298
N-butan-2-yl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 20883463
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 122176166
(3R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 92667685
N-cyclopropyl-1-(2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 49351288
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435820
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 20883572
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 92667716
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
(3R)-1-(thiophene-2-carbonyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 30787670
(4-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973
3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756437

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide (CID 20883468) is N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide is Cn1c(C(=O)N2CCCC(C(=O)NC3CC3)C2)cc2sccc21.
What is the InChIKey of N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is FNUXDSUVKWBKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19-13-6-8-23-15(13)9-14(19)17(22)20-7-2-3-11(10-20)16(21)18-12-4-5-12/h6,8-9,11-12H,2-5,7,10H2,1H3,(H,18,21).
What are the key properties of N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide?
N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 20883468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).