2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide

C10H19N3O2 — CID 63606570

IUPAC2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H19N3O2/c1-4-5-12-9(15)13-7-6-11-8(14)10(13,2)3/h4-7H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyZSVYSDUAWPLNPO-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.32
Rot. Bonds2

About 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide

2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide (PubChem CID 63606570) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
PubChem CID63606570
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H19N3O2/c1-4-5-12-9(15)13-7-6-11-8(14)10(13,2)3/h4-7H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyZSVYSDUAWPLNPO-UHFFFAOYSA-N
XLogP0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 55217098
4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63607222
3-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175544
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66002048
N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017587
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]hexanoic acid
CID 63606952
N-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 63605846
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
2,2-dimethyl-N-propylpiperazine-1-carboxamide
CID 65460942
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
CID 53017589

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide (CID 63606570) is 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide?
The InChIKey is ZSVYSDUAWPLNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-5-12-9(15)13-7-6-11-8(14)10(13,2)3/h4-7H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide?
2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 63606570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).