(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

C26H33N3O2 — CID 7922406

IUPAC(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)CC1=O
InChIInChI=1S/C26H33N3O2/c1-3-19(2)23-9-5-6-10-24(23)29-18-20(17-25(29)30)26(31)27-21-11-13-22(14-12-21)28-15-7-4-8-16-28/h5-6,9-14,19-20H,3-4,7-8,15-18H2,1-2H3,(H,27,31)/t19-,20+/m0/s1
InChIKeyFHWHFEODMFDXQM-VQTJNVASSA-N
MW419.57 g/mol
LogP5.18
Rot. Bonds6

About (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 7922406) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID7922406
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)CC1=O
InChIInChI=1S/C26H33N3O2/c1-3-19(2)23-9-5-6-10-24(23)29-18-20(17-25(29)30)26(31)27-21-11-13-22(14-12-21)28-15-7-4-8-16-28/h5-6,9-14,19-20H,3-4,7-8,15-18H2,1-2H3,(H,27,31)/t19-,20+/m0/s1
InChIKeyFHWHFEODMFDXQM-VQTJNVASSA-N
XLogP5.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113185955
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 7998981
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2458183
1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55333082
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55345584
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761294
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
1-(2-cyanophenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113191847

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 7922406) is (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)CC1=O.
What is the InChIKey of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is FHWHFEODMFDXQM-VQTJNVASSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-3-19(2)23-9-5-6-10-24(23)29-18-20(17-25(29)30)26(31)27-21-11-13-22(14-12-21)28-15-7-4-8-16-28/h5-6,9-14,19-20H,3-4,7-8,15-18H2,1-2H3,(H,27,31)/t19-,20+/m0/s1.
What are the key properties of (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 7922406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).