2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

C24H29N3O4 — CID 56528564

IUPAC2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESCn1cccc1C(=O)N1CCCCC1CCOC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C24H29N3O4/c1-25-13-7-11-21(25)23(29)26-14-6-5-10-20(26)12-15-31-24(30)18-16-22(28)27(17-18)19-8-3-2-4-9-19/h2-4,7-9,11,13,18,20H,5-6,10,12,14-17H2,1H3
InChIKeySGNNCCDRPSKIEN-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (PubChem CID 56528564) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
PubChem CID56528564
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESCn1cccc1C(=O)N1CCCCC1CCOC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C24H29N3O4/c1-25-13-7-11-21(25)23(29)26-14-6-5-10-20(26)12-15-31-24(30)18-16-22(28)27(17-18)19-8-3-2-4-9-19/h2-4,7-9,11,13,18,20H,5-6,10,12,14-17H2,1H3
InChIKeySGNNCCDRPSKIEN-UHFFFAOYSA-N
XLogP3.01
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 1-butanoylpyrrolidine-2-carboxylate
CID 56528525
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 56528561
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3,5-dichlorobenzoate
CID 56528622
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899755
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 56528532
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 1-benzothiophene-2-carboxylate
CID 56528514
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate
CID 56528580
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-(2-chloro-6-fluorophenyl)acetate
CID 75493926
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-(1-oxophthalazin-2-yl)acetate
CID 56528601
methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
CID 47074517

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The IUPAC name of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (CID 56528564) is 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is Cn1cccc1C(=O)N1CCCCC1CCOC(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The InChIKey is SGNNCCDRPSKIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-25-13-7-11-21(25)23(29)26-14-6-5-10-20(26)12-15-31-24(30)18-16-22(28)27(17-18)19-8-3-2-4-9-19/h2-4,7-9,11,13,18,20H,5-6,10,12,14-17H2,1H3.
What are the key properties of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate has a molecular weight of 423.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 56528564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).