(2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide

C27H38N4O4 — CID 25270653

IUPAC(2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCC(=O)N2C(=O)CC2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C27H38N4O4/c1-35-24-5-3-2-4-22(24)30-14-12-29(13-15-30)11-10-28-27(34)23-8-9-25(32)31(23)26(33)18-21-17-19-6-7-20(21)16-19/h2-5,19-21,23H,6-18H2,1H3,(H,28,34)/t19-,20+,21?,23-/m0/s1
InChIKeyGKUQSPJXLNKROT-FANLQWHUSA-N
MW482.63 g/mol
LogP2.28
Rot. Bonds8

About (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide

(2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 25270653) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID25270653
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Name(2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCC(=O)N2C(=O)CC2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C27H38N4O4/c1-35-24-5-3-2-4-22(24)30-14-12-29(13-15-30)11-10-28-27(34)23-8-9-25(32)31(23)26(33)18-21-17-19-6-7-20(21)16-19/h2-5,19-21,23H,6-18H2,1H3,(H,28,34)/t19-,20+,21?,23-/m0/s1
InChIKeyGKUQSPJXLNKROT-FANLQWHUSA-N
XLogP2.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide with MolForge

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Related Compounds

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CID 42266869
(2S)-1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
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2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
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N'-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268919
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 4810871
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11926440
(2S)-1-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 98184980
(2R)-1-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 98734901

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide (CID 25270653) is (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide is COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCC(=O)N2C(=O)CC2C[C@H]3CC[C@@H]2C3)CC1.
What is the InChIKey of (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GKUQSPJXLNKROT-FANLQWHUSA-N. The full InChI is InChI=1S/C27H38N4O4/c1-35-24-5-3-2-4-22(24)30-14-12-29(13-15-30)11-10-28-27(34)23-8-9-25(32)31(23)26(33)18-21-17-19-6-7-20(21)16-19/h2-5,19-21,23H,6-18H2,1H3,(H,28,34)/t19-,20+,21?,23-/m0/s1.
What are the key properties of (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 25270653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).