tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate

C27H30N2O5 — CID 60560484

IUPACtert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cccc2c1=O
InChIInChI=1S/C27H30N2O5/c1-17-22(30)20-11-8-12-21(24(20)33-23(17)18-9-6-5-7-10-18)25(31)28-19-13-15-29(16-14-19)26(32)34-27(2,3)4/h5-12,19H,13-16H2,1-4H3,(H,28,31)
InChIKeyYXJOPFJADDEQKM-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.90
Rot. Bonds3

About tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 60560484) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate
PubChem CID60560484
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Nametert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cccc2c1=O
InChIInChI=1S/C27H30N2O5/c1-17-22(30)20-11-8-12-21(24(20)33-23(17)18-9-6-5-7-10-18)25(31)28-19-13-15-29(16-14-19)26(32)34-27(2,3)4/h5-12,19H,13-16H2,1-4H3,(H,28,31)
InChIKeyYXJOPFJADDEQKM-UHFFFAOYSA-N
XLogP4.90
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
CID 75469313
tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-[(2-bromo-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 172648076
tert-butyl 4-[(2-amino-5-methylbenzoyl)amino]piperidine-1-carboxylate
CID 126455593
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 119595081
3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
CID 10254630
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487
tert-butyl 4-[(4-amino-5-chloro-1-benzofuran-7-carbonyl)amino]piperidine-1-carboxylate
CID 69401716
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate (CID 60560484) is tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate is Cc1c(-c2ccccc2)oc2c(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)cccc2c1=O.
What is the InChIKey of tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is YXJOPFJADDEQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-17-22(30)20-11-8-12-21(24(20)33-23(17)18-9-6-5-7-10-18)25(31)28-19-13-15-29(16-14-19)26(32)34-27(2,3)4/h5-12,19H,13-16H2,1-4H3,(H,28,31).
What are the key properties of tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 462.55 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 60560484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).