(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C19H29N3O2S — CID 55980543

IUPAC(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)CN1CCCCC1
InChIInChI=1S/C19H29N3O2S/c1-15(14-21-9-3-2-4-10-21)13-20-18(23)16-7-5-11-22(16)19(24)17-8-6-12-25-17/h6,8,12,15-16H,2-5,7,9-11,13-14H2,1H3,(H,20,23)/t15?,16-/m0/s1
InChIKeyCLUMFEYYDQCLLJ-LYKKTTPLSA-N
MW363.53 g/mol
LogP2.59
Rot. Bonds6

About (2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 55980543) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is (2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID55980543
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)CN1CCCCC1
InChIInChI=1S/C19H29N3O2S/c1-15(14-21-9-3-2-4-10-21)13-20-18(23)16-7-5-11-22(16)19(24)17-8-6-12-25-17/h6,8,12,15-16H,2-5,7,9-11,13-14H2,1H3,(H,20,23)/t15?,16-/m0/s1
InChIKeyCLUMFEYYDQCLLJ-LYKKTTPLSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-[2-(4-ethylpiperazin-1-yl)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876347
N-(2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78861390
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876458
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844749
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18163760
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 55980543) is (2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is CC(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)CN1CCCCC1.
What is the InChIKey of (2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is CLUMFEYYDQCLLJ-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-15(14-21-9-3-2-4-10-21)13-20-18(23)16-7-5-11-22(16)19(24)17-8-6-12-25-17/h6,8,12,15-16H,2-5,7,9-11,13-14H2,1H3,(H,20,23)/t15?,16-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55980543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).