N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide

C20H28N4O3 — CID 175658408

IUPACN-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)CN1CCCC1=O
InChIInChI=1S/C20H28N4O3/c1-21-20(27)17-14-22(11-9-16-6-3-2-4-7-16)12-13-24(17)19(26)15-23-10-5-8-18(23)25/h2-4,6-7,17H,5,8-15H2,1H3,(H,21,27)
InChIKeySKIHMCWDTPQHSU-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.11
Rot. Bonds6

About N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide

N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 175658408) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID175658408
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)CN1CCCC1=O
InChIInChI=1S/C20H28N4O3/c1-21-20(27)17-14-22(11-9-16-6-3-2-4-7-16)12-13-24(17)19(26)15-23-10-5-8-18(23)25/h2-4,6-7,17H,5,8-15H2,1H3,(H,21,27)
InChIKeySKIHMCWDTPQHSU-UHFFFAOYSA-N
XLogP0.11
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175659103
N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175657649
1-[2-oxo-2-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 45218870
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124979390
1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658819
4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086526
1-[2-oxo-2-[(2R)-2-(3-phenylpropyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 129393001
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 25480080
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide (CID 175658408) is N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide is CNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)CN1CCCC1=O.
What is the InChIKey of N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is SKIHMCWDTPQHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-21-20(27)17-14-22(11-9-16-6-3-2-4-7-16)12-13-24(17)19(26)15-23-10-5-8-18(23)25/h2-4,6-7,17H,5,8-15H2,1H3,(H,21,27).
What are the key properties of N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 175658408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).