tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate

C16H29N3O3 — CID 108902696

IUPACtert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)NCC2CCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)14(20)17-12-13-6-4-5-7-13/h13H,4-12H2,1-3H3,(H,17,20)
InChIKeyBAVHWUQPRMLNFD-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.44
Rot. Bonds2

About tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate

tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 108902696) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
PubChem CID108902696
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)NCC2CCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)14(20)17-12-13-6-4-5-7-13/h13H,4-12H2,1-3H3,(H,17,20)
InChIKeyBAVHWUQPRMLNFD-UHFFFAOYSA-N
XLogP2.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate
CID 11529681
tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 11701760
tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate
CID 107243510
tert-butyl 4-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 51476594
tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate
CID 108895304
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103730078
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate (CID 108902696) is tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)NCC2CCCC2)CC1.
What is the InChIKey of tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is BAVHWUQPRMLNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)14(20)17-12-13-6-4-5-7-13/h13H,4-12H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate?
tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108902696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).