tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate

C17H30N4O4 — CID 34196633

IUPACtert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)NC(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H30N4O4/c1-17(2,3)25-16(24)21-10-8-20(9-11-21)12-14(22)19-15(23)18-13-6-4-5-7-13/h13H,4-12H2,1-3H3,(H2,18,19,22,23)
InChIKeyRNFLNSAWIZSMCI-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.31
Rot. Bonds3

About tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 34196633) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID34196633
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Nametert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)NC(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H30N4O4/c1-17(2,3)25-16(24)21-10-8-20(9-11-21)12-14(22)19-15(23)18-13-6-4-5-7-13/h13H,4-12H2,1-3H3,(H2,18,19,22,23)
InChIKeyRNFLNSAWIZSMCI-UHFFFAOYSA-N
XLogP1.31
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655086
tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 172898653
2-(4-aminopiperidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 43556566
N-(cyclopropylcarbamoyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131574
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 16599138
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
tert-butyl 4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carboxylate;carbonic acid
CID 67802338
ethyl 4-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 31692902
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 55591816

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate (CID 34196633) is tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(=O)NC(=O)NC2CCCC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is RNFLNSAWIZSMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-17(2,3)25-16(24)21-10-8-20(9-11-21)12-14(22)19-15(23)18-13-6-4-5-7-13/h13H,4-12H2,1-3H3,(H2,18,19,22,23).
What are the key properties of tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 34196633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).