1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide

C17H31N3O2 — CID 71911710

IUPAC1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide
SMILESCCC(C)(C)C1CCCN1CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C17H31N3O2/c1-4-17(2,3)14-8-6-9-19(14)12-15(21)20-10-5-7-13(11-20)16(18)22/h13-14H,4-12H2,1-3H3,(H2,18,22)
InChIKeyHEVYDUGNIWQVDI-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.61
Rot. Bonds5

About 1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide

1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide (PubChem CID 71911710) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide
PubChem CID71911710
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide
SMILESCCC(C)(C)C1CCCN1CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C17H31N3O2/c1-4-17(2,3)14-8-6-9-19(14)12-15(21)20-10-5-7-13(11-20)16(18)22/h13-14H,4-12H2,1-3H3,(H2,18,22)
InChIKeyHEVYDUGNIWQVDI-UHFFFAOYSA-N
XLogP1.61
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(2,2-dimethylpropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9942834
(2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide
CID 11207545
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-4,4-dimethylpentanamide
CID 130191211
N-propan-2-yl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 156601541
N-[1-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methyl-1-oxopropan-2-yl]acetamide
CID 97125471
2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide
CID 126437131
(2S)-3-(3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;2,2,2-trifluoroacetamide
CID 170631625
1-[4-(dimethylcarbamoyl)-5-methylpyrrolidine-2-carbonyl]-N-methylpiperidine-4-carboxamide
CID 176433137
2-[3-Methyl-2-(5,5,5-trifluoro-3,3-dimethylpentanoyl)-2,8-diazaspiro[4.5]decan-8-yl]propanamide
CID 166297905
(2R)-N-(3-acetamidopropyl)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide
CID 24720601
N-{2-[7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-2-oxoethyl}acetamide
CID 45249817
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 46037054

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide (CID 71911710) is 1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide is CCC(C)(C)C1CCCN1CC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is HEVYDUGNIWQVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-4-17(2,3)14-8-6-9-19(14)12-15(21)20-10-5-7-13(11-20)16(18)22/h13-14H,4-12H2,1-3H3,(H2,18,22).
What are the key properties of 1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide?
1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylbutan-2-yl)pyrrolidin-1-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 71911710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).