N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide

C28H40N4O4 — CID 26357909

IUPACN-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
SMILESCOc1cccc(CN2CCN(C(=O)c3cn(CCC(C)C)cc(C(=O)NC(C)(C)C)c3=O)CC2)c1
InChIInChI=1S/C28H40N4O4/c1-20(2)10-11-31-18-23(26(34)29-28(3,4)5)25(33)24(19-31)27(35)32-14-12-30(13-15-32)17-21-8-7-9-22(16-21)36-6/h7-9,16,18-20H,10-15,17H2,1-6H3,(H,29,34)
InChIKeyQVZDTXGJBMETJO-UHFFFAOYSA-N
MW496.65 g/mol
LogP3.39
Rot. Bonds8

About N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide

N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide (PubChem CID 26357909) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
PubChem CID26357909
Molecular FormulaC28H40N4O4
Molecular Weight496.65 g/mol
Exact Mass496.30
IUPAC NameN-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
SMILESCOc1cccc(CN2CCN(C(=O)c3cn(CCC(C)C)cc(C(=O)NC(C)(C)C)c3=O)CC2)c1
InChIInChI=1S/C28H40N4O4/c1-20(2)10-11-31-18-23(26(34)29-28(3,4)5)25(33)24(19-31)27(35)32-14-12-30(13-15-32)17-21-8-7-9-22(16-21)36-6/h7-9,16,18-20H,10-15,17H2,1-6H3,(H,29,34)
InChIKeyQVZDTXGJBMETJO-UHFFFAOYSA-N
XLogP3.39
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-tert-butyl-4-oxo-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 29253833
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 19323261
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 28811034
N-[2-(3-methoxyphenyl)ethyl]-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113109427
[3-(difluoromethoxy)phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297405
5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 26333635
[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19323262
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
3-[[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl]benzoic acid
CID 122028789
2-[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19482542
N-tert-butyl-3-[[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methyl]benzamide
CID 143766184

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide (CID 26357909) is N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide is COc1cccc(CN2CCN(C(=O)c3cn(CCC(C)C)cc(C(=O)NC(C)(C)C)c3=O)CC2)c1.
What is the InChIKey of N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
The InChIKey is QVZDTXGJBMETJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O4/c1-20(2)10-11-31-18-23(26(34)29-28(3,4)5)25(33)24(19-31)27(35)32-14-12-30(13-15-32)17-21-8-7-9-22(16-21)36-6/h7-9,16,18-20H,10-15,17H2,1-6H3,(H,29,34).
What are the key properties of N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide?
N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide has a molecular weight of 496.65 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 26357909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).