(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide

C21H32N4O2 — CID 51940146

IUPAC(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@H](C(=O)NCCN2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C21H32N4O2/c1-17(2)15-25-16-18(14-20(25)26)21(27)22-8-9-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,22,27)/t18-/m1/s1
InChIKeyXPKHWUKZLMJNGD-GOSISDBHSA-N
MW372.51 g/mol
LogP1.43
Rot. Bonds7

About (3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide

(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 51940146) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID51940146
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@H](C(=O)NCCN2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C21H32N4O2/c1-17(2)15-25-16-18(14-20(25)26)21(27)22-8-9-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,22,27)/t18-/m1/s1
InChIKeyXPKHWUKZLMJNGD-GOSISDBHSA-N
XLogP1.43
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(3S)-1-(2-methylpropyl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 37081636
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
(3R)-1-ethyl-5-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 52522512
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
1-(2-methylpropyl)-5-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 50956223
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136
(3S)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 38441199
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962602
6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43352899

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 51940146) is (3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide is CC(C)CN1C[C@H](C(=O)NCCN2CCN(c3ccccc3)CC2)CC1=O.
What is the InChIKey of (3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is XPKHWUKZLMJNGD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17(2)15-25-16-18(14-20(25)26)21(27)22-8-9-23-10-12-24(13-11-23)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,22,27)/t18-/m1/s1.
What are the key properties of (3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide?
(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51940146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).