(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide

C18H25N3O2 — CID 99602181

IUPAC(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CC[C@@H](C(=O)NN3CCCCC3)C2=O)c1
InChIInChI=1S/C18H25N3O2/c1-13-10-14(2)12-15(11-13)21-9-6-16(18(21)23)17(22)19-20-7-4-3-5-8-20/h10-12,16H,3-9H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyBYKCXEHFCGMCQX-INIZCTEOSA-N
MW315.42 g/mol
LogP2.17
Rot. Bonds3

About (3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide

(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide (PubChem CID 99602181) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
PubChem CID99602181
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CC[C@@H](C(=O)NN3CCCCC3)C2=O)c1
InChIInChI=1S/C18H25N3O2/c1-13-10-14(2)12-15(11-13)21-9-6-16(18(21)23)17(22)19-20-7-4-3-5-8-20/h10-12,16H,3-9H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyBYKCXEHFCGMCQX-INIZCTEOSA-N
XLogP2.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(3,5-dimethylphenyl)-N-methoxy-2-oxopyrrolidine-3-carboxamide
CID 94506053
N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119628688
N-[2-(dimethylamino)ethyl]-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744155
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119457794
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
N-(5-amino-2-methylphenyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 120568728
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119615757
N-(2-aminoethyl)-1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119481119
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
1-(3,5-dimethylphenyl)-3-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402342
1-(3,5-dimethylphenyl)-2-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119462684
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119633147

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide (CID 99602181) is (3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CC[C@@H](C(=O)NN3CCCCC3)C2=O)c1.
What is the InChIKey of (3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide?
The InChIKey is BYKCXEHFCGMCQX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-10-14(2)12-15(11-13)21-9-6-16(18(21)23)17(22)19-20-7-4-3-5-8-20/h10-12,16H,3-9H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide?
(3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethylphenyl)-2-oxo-N-piperidin-1-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 99602181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).