tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate

C24H28N4O4 — CID 168586070

IUPACtert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate
SMILESCc1cc(-c2ccc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C24H28N4O4/c1-15-13-19(20(14-25)21(29)26-15)16-5-7-17(8-6-16)22(30)28-11-9-18(10-12-28)27-23(31)32-24(2,3)4/h5-8,13,18H,9-12H2,1-4H3,(H,26,29)(H,27,31)
InChIKeyXOHHEFOIRJNBEU-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate (PubChem CID 168586070) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate
PubChem CID168586070
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Nametert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate
SMILESCc1cc(-c2ccc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C24H28N4O4/c1-15-13-19(20(14-25)21(29)26-15)16-5-7-17(8-6-16)22(30)28-11-9-18(10-12-28)27-23(31)32-24(2,3)4/h5-8,13,18H,9-12H2,1-4H3,(H,26,29)(H,27,31)
InChIKeyXOHHEFOIRJNBEU-UHFFFAOYSA-N
XLogP3.35
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[1-(4-methyl-3-nitrobenzoyl)piperidin-4-yl]carbamate
CID 55736035
tert-butyl N-[1-(3-iodobenzoyl)piperidin-4-yl]carbamate
CID 55868992
tert-butyl N-[1-[2-cyano-3-(4-cyano-3-fluorophenyl)phenyl]piperidin-4-yl]carbamate
CID 170357435
tert-butyl N-[4-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]carbamate
CID 46443258
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
4-[5-[4-(4-aminopiperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile;tert-butyl N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]carbamate;N-[1-[4-[3-(4-cyanophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoyl]piperidin-4-yl]acetamide
CID 158972370
tert-butyl 4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-1,3-dihydroisoindole-2-carboxylate
CID 168587317
methyl 4-[2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]ethoxy]benzoate
CID 168585645
tert-butyl N-[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 69116044
tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate
CID 71512903
tert-butyl N-[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]carbamate
CID 55736625

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate (CID 168586070) is tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate is Cc1cc(-c2ccc(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate?
The InChIKey is XOHHEFOIRJNBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15-13-19(20(14-25)21(29)26-15)16-5-7-17(8-6-16)22(30)28-11-9-18(10-12-28)27-23(31)32-24(2,3)4/h5-8,13,18H,9-12H2,1-4H3,(H,26,29)(H,27,31).
What are the key properties of tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate has a molecular weight of 436.51 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 168586070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).