(3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

C21H31N3O2 — CID 92613351

IUPAC(3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1C[C@H](C(=O)NCc2cccc(N3CCCCC3)c2)CC1=O
InChIInChI=1S/C21H31N3O2/c1-21(2,3)24-15-17(13-19(24)25)20(26)22-14-16-8-7-9-18(12-16)23-10-5-4-6-11-23/h7-9,12,17H,4-6,10-11,13-15H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyABGSKZYYNYSYQR-QGZVFWFLSA-N
MW357.50 g/mol
LogP2.94
Rot. Bonds4

About (3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92613351) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92613351
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1C[C@H](C(=O)NCc2cccc(N3CCCCC3)c2)CC1=O
InChIInChI=1S/C21H31N3O2/c1-21(2,3)24-15-17(13-19(24)25)20(26)22-14-16-8-7-9-18(12-16)23-10-5-4-6-11-23/h7-9,12,17H,4-6,10-11,13-15H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyABGSKZYYNYSYQR-QGZVFWFLSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9352419
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17081114
1-tert-butyl-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70756271
(3R)-1-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7438277
(3S)-1-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7438279
(3R)-1-tert-butyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 9352503
N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926307
3-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108745437
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45250692
(3R)-1-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 95904457
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 70750335

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92613351) is (3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide is CC(C)(C)N1C[C@H](C(=O)NCc2cccc(N3CCCCC3)c2)CC1=O.
What is the InChIKey of (3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is ABGSKZYYNYSYQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-21(2,3)24-15-17(13-19(24)25)20(26)22-14-16-8-7-9-18(12-16)23-10-5-4-6-11-23/h7-9,12,17H,4-6,10-11,13-15H2,1-3H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92613351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).