tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate

C24H30N4O4 — CID 55552861

IUPACtert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1
InChIInChI=1S/C24H30N4O4/c1-24(2,3)32-23(31)26-18-9-7-8-17(14-18)22(30)27-19-15-16(21(25)29)10-11-20(19)28-12-5-4-6-13-28/h7-11,14-15H,4-6,12-13H2,1-3H3,(H2,25,29)(H,26,31)(H,27,30)
InChIKeyXJCLFAIAURFZLQ-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.38
Rot. Bonds5

About tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate

tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate (PubChem CID 55552861) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate
PubChem CID55552861
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Nametert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1
InChIInChI=1S/C24H30N4O4/c1-24(2,3)32-23(31)26-18-9-7-8-17(14-18)22(30)27-19-15-16(21(25)29)10-11-20(19)28-12-5-4-6-13-28/h7-11,14-15H,4-6,12-13H2,1-3H3,(H2,25,29)(H,26,31)(H,27,30)
InChIKeyXJCLFAIAURFZLQ-UHFFFAOYSA-N
XLogP4.38
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 46700228
tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate
CID 9272226
tert-butyl N-[3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]carbamate
CID 55532756
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 24540087
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979
4-piperidin-1-yl-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]benzamide
CID 55910186
tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
CID 7667817
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate (CID 55552861) is tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1.
What is the InChIKey of tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is XJCLFAIAURFZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-24(2,3)32-23(31)26-18-9-7-8-17(14-18)22(30)27-19-15-16(21(25)29)10-11-20(19)28-12-5-4-6-13-28/h7-11,14-15H,4-6,12-13H2,1-3H3,(H2,25,29)(H,26,31)(H,27,30).
What are the key properties of tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 438.53 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 55552861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).