(3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide

C17H24N2O2S — CID 95138868

IUPAC(3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1
InChIInChI=1S/C17H24N2O2S/c1-2-8-18-16(20)13-6-4-9-19(11-13)17(21)15-10-12-5-3-7-14(12)22-15/h10,13H,2-9,11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyVKSZHNVGFARJMR-CYBMUJFWSA-N
MW320.46 g/mol
LogP2.62
Rot. Bonds4

About (3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide

(3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide (PubChem CID 95138868) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide
PubChem CID95138868
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1
InChIInChI=1S/C17H24N2O2S/c1-2-8-18-16(20)13-6-4-9-19(11-13)17(21)15-10-12-5-3-7-14(12)22-15/h10,13H,2-9,11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyVKSZHNVGFARJMR-CYBMUJFWSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919441
[3-(methylamino)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 62536195
(3S)-N-ethyl-1-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)acetyl]piperidine-3-carboxamide
CID 97028869
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
(3-aminopiperidin-1-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 119378461
[(3R)-3-anilinopiperidin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 42533324
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 86877317
(4-amino-3-ethylpiperidin-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 81456961
[3-(hydroxymethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43403274
(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 94392069
1-pyrrolidin-1-yl-3-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-3-yl]propan-1-one
CID 45204269

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide (CID 95138868) is (3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1.
What is the InChIKey of (3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide?
The InChIKey is VKSZHNVGFARJMR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-2-8-18-16(20)13-6-4-9-19(11-13)17(21)15-10-12-5-3-7-14(12)22-15/h10,13H,2-9,11H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide?
(3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 95138868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).