N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

C18H21N3O2S — CID 6620143

IUPACN-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
InChIInChI=1S/C18H21N3O2S/c22-17(19-14-3-4-14)13-5-10-21(11-6-13)18(23)16-15(7-12-24-16)20-8-1-2-9-20/h1-2,7-9,12-14H,3-6,10-11H2,(H,19,22)
InChIKeyPSWZZTOHRSNKMF-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.67
Rot. Bonds4

About N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 6620143) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID6620143
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
InChIInChI=1S/C18H21N3O2S/c22-17(19-14-3-4-14)13-5-10-21(11-6-13)18(23)16-15(7-12-24-16)20-8-1-2-9-20/h1-2,7-9,12-14H,3-6,10-11H2,(H,19,22)
InChIKeyPSWZZTOHRSNKMF-UHFFFAOYSA-N
XLogP2.67
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 6620143) is N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1.
What is the InChIKey of N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is PSWZZTOHRSNKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(19-14-3-4-14)13-5-10-21(11-6-13)18(23)16-15(7-12-24-16)20-8-1-2-9-20/h1-2,7-9,12-14H,3-6,10-11H2,(H,19,22).
What are the key properties of N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 6620143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).