1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one

C16H26N4OS — CID 98761301

IUPAC1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCc1csc(N2CCN(CCCN3CCCC3=O)C[C@H]2C)n1
InChIInChI=1S/C16H26N4OS/c1-13-12-22-16(17-13)20-10-9-18(11-14(20)2)6-4-8-19-7-3-5-15(19)21/h12,14H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyFCXHYNYFICKWPD-CQSZACIVSA-N
MW322.48 g/mol
LogP1.97
Rot. Bonds5

About 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one

1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 98761301) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID98761301
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCc1csc(N2CCN(CCCN3CCCC3=O)C[C@H]2C)n1
InChIInChI=1S/C16H26N4OS/c1-13-12-22-16(17-13)20-10-9-18(11-14(20)2)6-4-8-19-7-3-5-15(19)21/h12,14H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyFCXHYNYFICKWPD-CQSZACIVSA-N
XLogP1.97
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole
CID 98761807
N,N-bis(cyanomethyl)-3-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 95345224
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 78881717
2-methyl-5-[[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124801255
1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one
CID 124736823
3,5-dimethyl-4-[[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 124737120
N-(2-cyanoethyl)-N-methyl-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 95336364
2-[(2R)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]-4-methyl-1,3-thiazole
CID 98763683
5-chloro-4-[[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]thiadiazole
CID 56778653
4-methyl-2-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 95354138
N-(1-cyano-1-cyclopropylethyl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 56778651
(2R)-2-[(3S)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 98763895

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one (CID 98761301) is 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one is Cc1csc(N2CCN(CCCN3CCCC3=O)C[C@H]2C)n1.
What is the InChIKey of 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is FCXHYNYFICKWPD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-13-12-22-16(17-13)20-10-9-18(11-14(20)2)6-4-8-19-7-3-5-15(19)21/h12,14H,3-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 322.48 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 98761301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).