2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide

C20H34N4O3 — CID 138685720

IUPAC2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
SMILESCCC[C@@H](C(=O)N1CCC(CC(N)=O)CC1)N1CCN[C@@H](CC2CC2)C1=O
InChIInChI=1S/C20H34N4O3/c1-2-3-17(20(27)23-9-6-15(7-10-23)13-18(21)25)24-11-8-22-16(19(24)26)12-14-4-5-14/h14-17,22H,2-13H2,1H3,(H2,21,25)/t16-,17-/m0/s1
InChIKeyQUTIRZUHEGSEGC-IRXDYDNUSA-N
MW378.52 g/mol
LogP0.87
Rot. Bonds8

About 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide

2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide (PubChem CID 138685720) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
PubChem CID138685720
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
SMILESCCC[C@@H](C(=O)N1CCC(CC(N)=O)CC1)N1CCN[C@@H](CC2CC2)C1=O
InChIInChI=1S/C20H34N4O3/c1-2-3-17(20(27)23-9-6-15(7-10-23)13-18(21)25)24-11-8-22-16(19(24)26)12-14-4-5-14/h14-17,22H,2-13H2,1H3,(H2,21,25)/t16-,17-/m0/s1
InChIKeyQUTIRZUHEGSEGC-IRXDYDNUSA-N
XLogP0.87
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4,4-dimethylpentanoyl]piperidin-4-yl]acetamide
CID 138685324
2-[1-[(2S)-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]hexanoyl]piperidin-4-yl]acetamide
CID 138685413
2-[1-[3-cyclopropyl-2-[(3S)-3-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
CID 174230355
2-[1-[4-methyl-2-[(3S)-2-oxo-3-propylpiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685539
2-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]propanoyl]piperidin-4-yl]acetamide
CID 138685942
2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide
CID 138685410
2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685348
2-[1-[2-[(3S)-3-butan-2-yl-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]acetamide
CID 138685458
(3S)-1-[(2S)-1-[4-(2-aminoethyl)piperidin-1-yl]-3-cyclopropyl-1-oxopropan-2-yl]-3-(2,2-dimethylpropyl)piperazin-2-one
CID 138685673
(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
(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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide (CID 138685720) is 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide is CCC[C@@H](C(=O)N1CCC(CC(N)=O)CC1)N1CCN[C@@H](CC2CC2)C1=O.
What is the InChIKey of 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide?
The InChIKey is QUTIRZUHEGSEGC-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-2-3-17(20(27)23-9-6-15(7-10-23)13-18(21)25)24-11-8-22-16(19(24)26)12-14-4-5-14/h14-17,22H,2-13H2,1H3,(H2,21,25)/t16-,17-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide?
2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 138685720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).