4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide

C27H46N6O4 — CID 10164880

IUPAC4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide
SMILESCCC[C@H](NC(=O)C1(NC(=O)N2CCN(C(C)(C)C)CC2)CCCCC1)C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C27H46N6O4/c1-8-12-19(20(34)21-30-31-23(37-21)25(2,3)4)28-22(35)27(13-10-9-11-14-27)29-24(36)32-15-17-33(18-16-32)26(5,6)7/h19H,8-18H2,1-7H3,(H,28,35)(H,29,36)/t19-/m0/s1
InChIKeyGFQXAUCEOHAMJB-IBGZPJMESA-N
MW518.70 g/mol
LogP3.66
Rot. Bonds7

About 4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide

4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide (PubChem CID 10164880) has the molecular formula C27H46N6O4 and a molecular weight of 518.70 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide
PubChem CID10164880
Molecular FormulaC27H46N6O4
Molecular Weight518.70 g/mol
Exact Mass518.36
IUPAC Name4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide
SMILESCCC[C@H](NC(=O)C1(NC(=O)N2CCN(C(C)(C)C)CC2)CCCCC1)C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C27H46N6O4/c1-8-12-19(20(34)21-30-31-23(37-21)25(2,3)4)28-22(35)27(13-10-9-11-14-27)29-24(36)32-15-17-33(18-16-32)26(5,6)7/h19H,8-18H2,1-7H3,(H,28,35)(H,29,36)/t19-/m0/s1
InChIKeyGFQXAUCEOHAMJB-IBGZPJMESA-N
XLogP3.66
TPSA120.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.70
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide (CID 10164880) is 4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide is CCC[C@H](NC(=O)C1(NC(=O)N2CCN(C(C)(C)C)CC2)CCCCC1)C(=O)c1nnc(C(C)(C)C)o1.
What is the InChIKey of 4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide?
The InChIKey is GFQXAUCEOHAMJB-IBGZPJMESA-N. The full InChI is InChI=1S/C27H46N6O4/c1-8-12-19(20(34)21-30-31-23(37-21)25(2,3)4)28-22(35)27(13-10-9-11-14-27)29-24(36)32-15-17-33(18-16-32)26(5,6)7/h19H,8-18H2,1-7H3,(H,28,35)(H,29,36)/t19-/m0/s1.
What are the key properties of 4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide?
4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide has a molecular weight of 518.70 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]piperazine-1-carboxamide is sourced from PubChem (CID 10164880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).