(2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide

C19H29N3O2S — CID 120629717

IUPAC(2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide
SMILESCCCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C19H29N3O2S/c1-3-4-16(21-18(23)14-5-8-20-13(2)11-14)19(24)22-9-6-17-15(12-22)7-10-25-17/h7,10,13-14,16,20H,3-6,8-9,11-12H2,1-2H3,(H,21,23)/t13-,14-,16?/m0/s1
InChIKeyDOWITLWMZJYIQU-ADTLFGHVSA-N
MW363.53 g/mol
LogP2.31
Rot. Bonds5

About (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide (PubChem CID 120629717) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide
PubChem CID120629717
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name(2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide
SMILESCCCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(=O)N1CCc2sccc2C1
InChIInChI=1S/C19H29N3O2S/c1-3-4-16(21-18(23)14-5-8-20-13(2)11-14)19(24)22-9-6-17-15(12-22)7-10-25-17/h7,10,13-14,16,20H,3-6,8-9,11-12H2,1-2H3,(H,21,23)/t13-,14-,16?/m0/s1
InChIKeyDOWITLWMZJYIQU-ADTLFGHVSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

2-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975797
(2R,3R)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-3-methyloxolane-2-carboxamide
CID 97027212
2-chloro-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
CID 146085843
N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpropanamide
CID 52876316
(2S,5R)-5-(aminomethyl)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120791303
2-(4-aminophenyl)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]acetamide
CID 119765404
4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]benzamide
CID 52522702
(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]pentan-1-one
CID 99819854
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631475
(2S)-N-[(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213212
methyl 1-[1-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]carbamoyl]-4-hydroxypiperidin-4-yl]cyclobutane-1-carboxylate
CID 154877579
(2S,4S)-2-methyl-N-(1-morpholin-4-yl-1-oxobutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120637145

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide (CID 120629717) is (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide is CCCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(=O)N1CCc2sccc2C1.
What is the InChIKey of (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide?
The InChIKey is DOWITLWMZJYIQU-ADTLFGHVSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-3-4-16(21-18(23)14-5-8-20-13(2)11-14)19(24)22-9-6-17-15(12-22)7-10-25-17/h7,10,13-14,16,20H,3-6,8-9,11-12H2,1-2H3,(H,21,23)/t13-,14-,16?/m0/s1.
What are the key properties of (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120629717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).