4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide

C27H42N4O4 — CID 138685600

IUPAC4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide
SMILESCC(C)CC1NCCN(C(CC(C)C)C(=O)N2CCC(COc3ccc(C(N)=O)cc3)CC2)C1=O
InChIInChI=1S/C27H42N4O4/c1-18(2)15-23-26(33)31(14-11-29-23)24(16-19(3)4)27(34)30-12-9-20(10-13-30)17-35-22-7-5-21(6-8-22)25(28)32/h5-8,18-20,23-24,29H,9-17H2,1-4H3,(H2,28,32)
InChIKeyRJJJWJVBJCDZSO-UHFFFAOYSA-N
MW486.66 g/mol
LogP2.66
Rot. Bonds10

About 4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide

4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide (PubChem CID 138685600) has the molecular formula C27H42N4O4 and a molecular weight of 486.66 g/mol. Its IUPAC name is 4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide
PubChem CID138685600
Molecular FormulaC27H42N4O4
Molecular Weight486.66 g/mol
Exact Mass486.32
IUPAC Name4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide
SMILESCC(C)CC1NCCN(C(CC(C)C)C(=O)N2CCC(COc3ccc(C(N)=O)cc3)CC2)C1=O
InChIInChI=1S/C27H42N4O4/c1-18(2)15-23-26(33)31(14-11-29-23)24(16-19(3)4)27(34)30-12-9-20(10-13-30)17-35-22-7-5-21(6-8-22)25(28)32/h5-8,18-20,23-24,29H,9-17H2,1-4H3,(H2,28,32)
InChIKeyRJJJWJVBJCDZSO-UHFFFAOYSA-N
XLogP2.66
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[1-[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685640
(3S)-1-[4-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685832
propan-2-yl 2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetate
CID 138749176
2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685835
2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685836
N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide
CID 138685565
N-(3-methylbutan-2-yl)-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685933
[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl] 2-phenylacetate
CID 138685881
(3S)-1-[4-methyl-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685320
2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(4-methylpentan-2-yl)acetamide
CID 138685787
N-ethyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(2-methylpropyl)acetamide
CID 155164424
2-[1-[4-methyl-2-[(3S)-2-oxo-3-propylpiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685539

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide?
The IUPAC name of 4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide (CID 138685600) is 4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide.
What is the SMILES notation for 4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide?
The canonical SMILES for 4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide is CC(C)CC1NCCN(C(CC(C)C)C(=O)N2CCC(COc3ccc(C(N)=O)cc3)CC2)C1=O.
What is the InChIKey of 4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide?
The InChIKey is RJJJWJVBJCDZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O4/c1-18(2)15-23-26(33)31(14-11-29-23)24(16-19(3)4)27(34)30-12-9-20(10-13-30)17-35-22-7-5-21(6-8-22)25(28)32/h5-8,18-20,23-24,29H,9-17H2,1-4H3,(H2,28,32).
What are the key properties of 4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide?
4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide has a molecular weight of 486.66 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]methoxy]benzamide is sourced from PubChem (CID 138685600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).