1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide

C16H29N3O2 — CID 178090497

IUPAC1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide
SMILESCC[C@H](C)[C@@H](C(=O)N1CCCCC1)N1CCCC1C(N)=O
InChIInChI=1S/C16H29N3O2/c1-3-12(2)14(16(21)18-9-5-4-6-10-18)19-11-7-8-13(19)15(17)20/h12-14H,3-11H2,1-2H3,(H2,17,20)/t12-,13?,14-/m0/s1
InChIKeyFWUGSTPOUHIPIW-HPNRGHHYSA-N
MW295.43 g/mol
LogP1.36
Rot. Bonds5

About 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide

1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 178090497) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID178090497
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide
SMILESCC[C@H](C)[C@@H](C(=O)N1CCCCC1)N1CCCC1C(N)=O
InChIInChI=1S/C16H29N3O2/c1-3-12(2)14(16(21)18-9-5-4-6-10-18)19-11-7-8-13(19)15(17)20/h12-14H,3-11H2,1-2H3,(H2,17,20)/t12-,13?,14-/m0/s1
InChIKeyFWUGSTPOUHIPIW-HPNRGHHYSA-N
XLogP1.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
CID 64662468
methyl 3-(2-carbamoylpyrrolidin-1-yl)butanoate
CID 43537409
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 63760688
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
1-(2-aminoacetyl)-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide
CID 70338404
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
1-(4-benzyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide
CID 146015068
1-(1,1,5-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 134283914
ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
CID 61149152

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide (CID 178090497) is 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide is CC[C@H](C)[C@@H](C(=O)N1CCCCC1)N1CCCC1C(N)=O.
What is the InChIKey of 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is FWUGSTPOUHIPIW-HPNRGHHYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-12(2)14(16(21)18-9-5-4-6-10-18)19-11-7-8-13(19)15(17)20/h12-14H,3-11H2,1-2H3,(H2,17,20)/t12-,13?,14-/m0/s1.
What are the key properties of 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide?
1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 178090497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).