tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate

C23H42N4O3 — CID 22321740

IUPACtert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
SMILESCN1CCC(N2CCN(C(=O)CN(C(=O)OC(C)(C)C)C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H42N4O3/c1-23(2,3)30-22(29)27(20-8-6-5-7-9-20)18-21(28)26-16-14-25(15-17-26)19-10-12-24(4)13-11-19/h19-20H,5-18H2,1-4H3
InChIKeyCTKDFJKOQOVDFN-UHFFFAOYSA-N
MW422.61 g/mol
LogP2.79
Rot. Bonds4

About tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate (PubChem CID 22321740) has the molecular formula C23H42N4O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
PubChem CID22321740
Molecular FormulaC23H42N4O3
Molecular Weight422.61 g/mol
Exact Mass422.33
IUPAC Nametert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
SMILESCN1CCC(N2CCN(C(=O)CN(C(=O)OC(C)(C)C)C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H42N4O3/c1-23(2,3)30-22(29)27(20-8-6-5-7-9-20)18-21(28)26-16-14-25(15-17-26)19-10-12-24(4)13-11-19/h19-20H,5-18H2,1-4H3
InChIKeyCTKDFJKOQOVDFN-UHFFFAOYSA-N
XLogP2.79
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 22321691
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2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
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1-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]azetidine-2-carboxylic acid
CID 22716025
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride
CID 22321771
2-(cyclohexylmethoxy)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 59618609
tert-butyl N-ethyl-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 69143161
tert-butyl N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(oxan-4-yl)carbamate
CID 91414438
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate (CID 22321740) is tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate is CN1CCC(N2CCN(C(=O)CN(C(=O)OC(C)(C)C)C3CCCCC3)CC2)CC1.
What is the InChIKey of tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is CTKDFJKOQOVDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O3/c1-23(2,3)30-22(29)27(20-8-6-5-7-9-20)18-21(28)26-16-14-25(15-17-26)19-10-12-24(4)13-11-19/h19-20H,5-18H2,1-4H3.
What are the key properties of tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 422.61 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 22321740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).