N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

C23H32N4O4 — CID 55796103

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(C)nn3C(C)(C)C)CC2)c1
InChIInChI=1S/C23H32N4O4/c1-15-11-20(27(25-15)23(2,3)4)24-21(28)16-7-9-26(10-8-16)22(29)17-12-18(30-5)14-19(13-17)31-6/h11-14,16H,7-10H2,1-6H3,(H,24,28)
InChIKeyBTBYRVUXZWBMJW-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.45
Rot. Bonds5

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 55796103) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID55796103
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(C)nn3C(C)(C)C)CC2)c1
InChIInChI=1S/C23H32N4O4/c1-15-11-20(27(25-15)23(2,3)4)24-21(28)16-7-9-26(10-8-16)22(29)17-12-18(30-5)14-19(13-17)31-6/h11-14,16H,7-10H2,1-6H3,(H,24,28)
InChIKeyBTBYRVUXZWBMJW-UHFFFAOYSA-N
XLogP3.45
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
1-(3,5-dimethoxybenzoyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-4-carboxamide
CID 55758643
N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide
CID 71940687
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
1-(3,5-dimethoxybenzoyl)-N-(4-ethyl-2-pyridinyl)piperidine-4-carboxamide
CID 162630508
N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 120505350
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (CID 55796103) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(C)nn3C(C)(C)C)CC2)c1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is BTBYRVUXZWBMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-15-11-20(27(25-15)23(2,3)4)24-21(28)16-7-9-26(10-8-16)22(29)17-12-18(30-5)14-19(13-17)31-6/h11-14,16H,7-10H2,1-6H3,(H,24,28).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55796103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).