2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

C22H30N4O3 — CID 42557154

IUPAC2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H30N4O3/c27-20(14-19-22(29)23-11-13-25(19)17-4-1-2-5-17)24-15-16-7-9-18(10-8-16)26-12-3-6-21(26)28/h7-10,17,19H,1-6,11-15H2,(H,23,29)(H,24,27)/t19-/m0/s1
InChIKeyAKVHTMOXIFQTGE-IBGZPJMESA-N
MW398.51 g/mol
LogP1.56
Rot. Bonds6

About 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (PubChem CID 42557154) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
PubChem CID42557154
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H30N4O3/c27-20(14-19-22(29)23-11-13-25(19)17-4-1-2-5-17)24-15-16-7-9-18(10-8-16)26-12-3-6-21(26)28/h7-10,17,19H,1-6,11-15H2,(H,23,29)(H,24,27)/t19-/m0/s1
InChIKeyAKVHTMOXIFQTGE-IBGZPJMESA-N
XLogP1.56
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 45196144
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CID 24791261
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide
CID 95716394
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CID 56855032
2-[(2S)-morpholin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 125118421
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
CID 119694507
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589722
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749231
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 45170388
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (CID 42557154) is 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The InChIKey is AKVHTMOXIFQTGE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N4O3/c27-20(14-19-22(29)23-11-13-25(19)17-4-1-2-5-17)24-15-16-7-9-18(10-8-16)26-12-3-6-21(26)28/h7-10,17,19H,1-6,11-15H2,(H,23,29)(H,24,27)/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 42557154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).