(2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

C19H33N3O3 — CID 164634146

IUPAC(2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCC(C)(C)C(=O)N1CCC(N2C(=O)CC[C@H]2C(=O)NC(C)C)CC1
InChIInChI=1S/C19H33N3O3/c1-6-19(4,5)18(25)21-11-9-14(10-12-21)22-15(7-8-16(22)23)17(24)20-13(2)3/h13-15H,6-12H2,1-5H3,(H,20,24)/t15-/m0/s1
InChIKeyHGZYKHAJBVIPLM-HNNXBMFYSA-N
MW351.49 g/mol
LogP1.93
Rot. Bonds5

About (2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

(2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 164634146) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is (2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID164634146
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name(2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCC(C)(C)C(=O)N1CCC(N2C(=O)CC[C@H]2C(=O)NC(C)C)CC1
InChIInChI=1S/C19H33N3O3/c1-6-19(4,5)18(25)21-11-9-14(10-12-21)22-15(7-8-16(22)23)17(24)20-13(2)3/h13-15H,6-12H2,1-5H3,(H,20,24)/t15-/m0/s1
InChIKeyHGZYKHAJBVIPLM-HNNXBMFYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fasoracetam
CID 198695
5-(Piperidine-1-carbonyl)pyrrolidin-2-one
CID 3042287
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 11450670
2-Pyrrolidinecarboxamide, N-(4-(2,6-dimethyl-1-piperidinyl)-2-butynyl)-5-oxo-, (S)-
CID 338466
1-cyclopentyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxoprolinamide
CID 3243111
1-cyclopentyl-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-oxoprolinamide
CID 3240553
(2S)-1-[2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
CID 57341276
(2S)-1-[(3R)-1-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]piperidin-3-yl]pyrrolidine-2-carboxamide
CID 57341460
(2S)-1-[2-[[(3S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
CID 57341817
(2S)-1-[(3S)-1-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]piperidin-3-yl]pyrrolidine-2-carboxamide
CID 57341982
Glp-Leu-Pip-NH2
CID 13312531
2-(2-methyl-5-oxo-1-pyrrolidinyl)-N-[2-(1-piperidinyl)propyl]acetamide
CID 21327783

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (CID 164634146) is (2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is CCC(C)(C)C(=O)N1CCC(N2C(=O)CC[C@H]2C(=O)NC(C)C)CC1.
What is the InChIKey of (2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is HGZYKHAJBVIPLM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-6-19(4,5)18(25)21-11-9-14(10-12-21)22-15(7-8-16(22)23)17(24)20-13(2)3/h13-15H,6-12H2,1-5H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 164634146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).