N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide

C20H28N4O2S — CID 129340562

IUPACN,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@@H]2CCCCN2CC(=O)N[C@H](C)c2cccs2)n1C
InChIInChI=1S/C20H28N4O2S/c1-14(18-8-6-12-27-18)22-19(25)13-24-11-5-4-7-16(24)15-9-10-17(23(15)3)20(26)21-2/h6,8-10,12,14,16H,4-5,7,11,13H2,1-3H3,(H,21,26)(H,22,25)/t14-,16+/m1/s1
InChIKeyQCBIOVISYCKKIT-ZBFHGGJFSA-N
MW388.54 g/mol
LogP2.85
Rot. Bonds6

About N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide

N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide (PubChem CID 129340562) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
PubChem CID129340562
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@@H]2CCCCN2CC(=O)N[C@H](C)c2cccs2)n1C
InChIInChI=1S/C20H28N4O2S/c1-14(18-8-6-12-27-18)22-19(25)13-24-11-5-4-7-16(24)15-9-10-17(23(15)3)20(26)21-2/h6,8-10,12,14,16H,4-5,7,11,13H2,1-3H3,(H,21,26)(H,22,25)/t14-,16+/m1/s1
InChIKeyQCBIOVISYCKKIT-ZBFHGGJFSA-N
XLogP2.85
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 129330093
N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 132971145
5-[(2S)-1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129343327
N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129002539
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119928547
5-[(2R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334180
2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 128965274
5-[(2R)-1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334945
5-[(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334635
N,1-dimethyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337137
N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337672
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95609320

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide (CID 129340562) is N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide is CNC(=O)c1ccc([C@@H]2CCCCN2CC(=O)N[C@H](C)c2cccs2)n1C.
What is the InChIKey of N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide?
The InChIKey is QCBIOVISYCKKIT-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-14(18-8-6-12-27-18)22-19(25)13-24-11-5-4-7-16(24)15-9-10-17(23(15)3)20(26)21-2/h6,8-10,12,14,16H,4-5,7,11,13H2,1-3H3,(H,21,26)(H,22,25)/t14-,16+/m1/s1.
What are the key properties of N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide?
N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 129340562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).