2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide

C18H29N5O2 — CID 56901393

IUPAC2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
SMILESCc1cccnc1NCCNC(=O)CC1C(=O)NCCN1CC(C)C
InChIInChI=1S/C18H29N5O2/c1-13(2)12-23-10-9-22-18(25)15(23)11-16(24)19-7-8-21-17-14(3)5-4-6-20-17/h4-6,13,15H,7-12H2,1-3H3,(H,19,24)(H,20,21)(H,22,25)
InChIKeyMTUCYEXONFJDJP-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.76
Rot. Bonds8

About 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide

2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide (PubChem CID 56901393) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
PubChem CID56901393
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
SMILESCc1cccnc1NCCNC(=O)CC1C(=O)NCCN1CC(C)C
InChIInChI=1S/C18H29N5O2/c1-13(2)12-23-10-9-22-18(25)15(23)11-16(24)19-7-8-21-17-14(3)5-4-6-20-17/h4-6,13,15H,7-12H2,1-3H3,(H,19,24)(H,20,21)(H,22,25)
InChIKeyMTUCYEXONFJDJP-UHFFFAOYSA-N
XLogP0.76
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 95722212
2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 26395842
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 45210398
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 95717335
N-[(2,3-dimethoxyphenyl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 95716450
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
CID 56900793
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide
CID 45172029
N-[(2-methyl-1H-indol-5-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 45169917
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide
CID 91784355
N-(3-methoxypropyl)-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45212622
3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
CID 45227876

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide (CID 56901393) is 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide is Cc1cccnc1NCCNC(=O)CC1C(=O)NCCN1CC(C)C.
What is the InChIKey of 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide?
The InChIKey is MTUCYEXONFJDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13(2)12-23-10-9-22-18(25)15(23)11-16(24)19-7-8-21-17-14(3)5-4-6-20-17/h4-6,13,15H,7-12H2,1-3H3,(H,19,24)(H,20,21)(H,22,25).
What are the key properties of 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide?
2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 56901393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).