methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate

C10H16N2O3 — CID 60700298

IUPACmethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C10H16N2O3/c1-15-10(14)12-6-4-11(5-7-12)9(13)8-2-3-8/h8H,2-7H2,1H3
InChIKeyUTGGGGQORPKDBS-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.31
Rot. Bonds1

About methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate

methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate (PubChem CID 60700298) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
PubChem CID60700298
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C10H16N2O3/c1-15-10(14)12-6-4-11(5-7-12)9(13)8-2-3-8/h8H,2-7H2,1H3
InChIKeyUTGGGGQORPKDBS-UHFFFAOYSA-N
XLogP0.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
CID 110818476
methyl 4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808697
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]-1,4-diazepane-1-carboxylate
CID 52843125
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
methyl 4-bromopiperidine-1-carboxylate
CID 174906499
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate (CID 60700298) is methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate?
The InChIKey is UTGGGGQORPKDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-15-10(14)12-6-4-11(5-7-12)9(13)8-2-3-8/h8H,2-7H2,1H3.
What are the key properties of methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate?
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 60700298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).