1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea

C15H23N3O2S — CID 97020397

IUPAC1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
SMILESC[C@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)Cc1cccs1
InChIInChI=1S/C15H23N3O2S/c1-11(8-13-4-3-7-21-13)9-16-15(20)17-12-5-6-14(19)18(2)10-12/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,16,17,20)/t11-,12+/m0/s1
InChIKeyRUAOARXLEFIZHE-NWDGAFQWSA-N
MW309.43 g/mol
LogP1.85
Rot. Bonds5

About 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea

1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea (PubChem CID 97020397) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
PubChem CID97020397
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
SMILESC[C@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)Cc1cccs1
InChIInChI=1S/C15H23N3O2S/c1-11(8-13-4-3-7-21-13)9-16-15(20)17-12-5-6-14(19)18(2)10-12/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,16,17,20)/t11-,12+/m0/s1
InChIKeyRUAOARXLEFIZHE-NWDGAFQWSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea with MolForge

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Related Compounds

N~1~,N~1~-dimethyl-N~4~-(thien-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 3239396
N~1~,N~1~-dimethyl-N~3~-(thien-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 3242124
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
CID 3243425
N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]-2-methylpropanamide
CID 4654599
4-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-1,4-dicarboxamide
CID 94156776
Cambridge id 7020648
CID 2924363
4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide
CID 42886196
N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 46943863
1-(pyrrolidine-1-carbonyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 47030902
N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide
CID 47073371
1-[1-(3-Thiophen-3-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 48416428

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea (CID 97020397) is 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea is C[C@H](CNC(=O)N[C@@H]1CCC(=O)N(C)C1)Cc1cccs1.
What is the InChIKey of 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea?
The InChIKey is RUAOARXLEFIZHE-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11(8-13-4-3-7-21-13)9-16-15(20)17-12-5-6-14(19)18(2)10-12/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,16,17,20)/t11-,12+/m0/s1.
What are the key properties of 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea?
1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea has a molecular weight of 309.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 97020397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).