2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate

C14H25N3O3 — CID 61176281

IUPAC2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-11(2)10-20-14(19)17-7-3-4-12(17)13(18)16-8-5-15-6-9-16/h11-12,15H,3-10H2,1-2H3
InChIKeyZWFJEDMGFFMWGK-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.68
Rot. Bonds3

About 2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate

2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 61176281) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID61176281
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-11(2)10-20-14(19)17-7-3-4-12(17)13(18)16-8-5-15-6-9-16/h11-12,15H,3-10H2,1-2H3
InChIKeyZWFJEDMGFFMWGK-UHFFFAOYSA-N
XLogP0.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
2-O-tert-butyl 1-O-(2-methylpropyl) (2R)-pyrrolidine-1,2-dicarboxylate
CID 115536127
benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 93481134
1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
sodium tris[[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]oxy]boranuide
CID 131719405
N-ethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 61176280
2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
CID 115536150
2-tert-butylsulfanyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61176844
1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 62677214
1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one
CID 62677215

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate (CID 61176281) is 2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate is CC(C)COC(=O)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of 2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is ZWFJEDMGFFMWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(2)10-20-14(19)17-7-3-4-12(17)13(18)16-8-5-15-6-9-16/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate?
2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 61176281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).