tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate

C24H41N3O4 — CID 59918929

IUPACtert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)C1
InChIInChI=1S/C24H41N3O4/c1-24(2,3)31-23(30)26-16-10-11-18(17-26)21(28)27(20-14-8-5-9-15-20)22(29)25-19-12-6-4-7-13-19/h18-20H,4-17H2,1-3H3,(H,25,29)/t18-/m0/s1
InChIKeyOUVLWZDQHTWJOQ-SFHVURJKSA-N
MW435.61 g/mol
LogP4.84
Rot. Bonds3

About tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 59918929) has the molecular formula C24H41N3O4 and a molecular weight of 435.61 g/mol. Its IUPAC name is tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate
PubChem CID59918929
Molecular FormulaC24H41N3O4
Molecular Weight435.61 g/mol
Exact Mass435.31
IUPAC Nametert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)C1
InChIInChI=1S/C24H41N3O4/c1-24(2,3)31-23(30)26-16-10-11-18(17-26)21(28)27(20-14-8-5-9-15-20)22(29)25-19-12-6-4-7-13-19/h18-20H,4-17H2,1-3H3,(H,25,29)/t18-/m0/s1
InChIKeyOUVLWZDQHTWJOQ-SFHVURJKSA-N
XLogP4.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-(cyclohexylcarbamoyl)-1-methylpiperidine-3-carboxamide
CID 22893942
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 107241554
tert-butyl (3S)-3-[(2R)-2-cyano-3-(cyclohexylamino)-3-oxopropanoyl]piperidine-1-carboxylate
CID 94365140
tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
CID 126812951
tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
CID 124750324
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl 3-[(3-methylcyclobutyl)amino]azepane-1-carboxylate
CID 104859796
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[(cyclobutanecarbonylamino)carbamoyl]azetidine-1-carboxylate
CID 163488927

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate (CID 59918929) is tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)C1.
What is the InChIKey of tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is OUVLWZDQHTWJOQ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H41N3O4/c1-24(2,3)31-23(30)26-16-10-11-18(17-26)21(28)27(20-14-8-5-9-15-20)22(29)25-19-12-6-4-7-13-19/h18-20H,4-17H2,1-3H3,(H,25,29)/t18-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 435.61 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 59918929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).