2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide

C14H24N4O3 — CID 107435207

IUPAC2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)C2CNC(=O)CN2)CC1
InChIInChI=1S/C14H24N4O3/c1-9(2)13(20)17-10-3-5-18(6-4-10)14(21)11-7-16-12(19)8-15-11/h9-11,15H,3-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJTOFUWCRXFIAHP-UHFFFAOYSA-N
MW296.37 g/mol
LogP-1.16
Rot. Bonds3

About 2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide

2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 107435207) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID107435207
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)C2CNC(=O)CN2)CC1
InChIInChI=1S/C14H24N4O3/c1-9(2)13(20)17-10-3-5-18(6-4-10)14(21)11-7-16-12(19)8-15-11/h9-11,15H,3-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJTOFUWCRXFIAHP-UHFFFAOYSA-N
XLogP-1.16
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidine-1-carbonyl)piperazin-2-one
CID 126980518
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497
5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one
CID 107436688
N-[1-(4-methoxypyrrolidine-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61214062
methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate
CID 107435401
1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 114081877
3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid
CID 107437161
2-methyl-N-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 63715305
5-(3-piperidin-1-ylpyrrolidine-1-carbonyl)piperazin-2-one
CID 107436462
5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one
CID 107437768
2-methyl-N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]propanamide
CID 113223568
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide (CID 107435207) is 2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(C(=O)C2CNC(=O)CN2)CC1.
What is the InChIKey of 2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is JTOFUWCRXFIAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9(2)13(20)17-10-3-5-18(6-4-10)14(21)11-7-16-12(19)8-15-11/h9-11,15H,3-8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide?
2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 296.37 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 107435207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).