N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide

C25H34N4O3 — CID 140993279

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Oc3ccccc3)CC2C)cc1N1CCN(C)CC1
InChIInChI=1S/C25H34N4O3/c1-19-17-22(32-21-7-5-4-6-8-21)11-12-29(19)25(30)26-20-9-10-24(31-3)23(18-20)28-15-13-27(2)14-16-28/h4-10,18-19,22H,11-17H2,1-3H3,(H,26,30)
InChIKeyINAYPOQJEJNKLI-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.91
Rot. Bonds5

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide (PubChem CID 140993279) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide
PubChem CID140993279
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Oc3ccccc3)CC2C)cc1N1CCN(C)CC1
InChIInChI=1S/C25H34N4O3/c1-19-17-22(32-21-7-5-4-6-8-21)11-12-29(19)25(30)26-20-9-10-24(31-3)23(18-20)28-15-13-27(2)14-16-28/h4-10,18-19,22H,11-17H2,1-3H3,(H,26,30)
InChIKeyINAYPOQJEJNKLI-UHFFFAOYSA-N
XLogP3.91
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107
1-(3-chloro-4-methylphenyl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 15541334
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 22459288
5-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide;5-bromothiophene-2-carboxylic acid
CID 67753976
1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 22118884
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
(E)-but-2-enedioic acid;N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 67663218
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17249760
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide
CID 18180082
[4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 67017684

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide (CID 140993279) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(Oc3ccccc3)CC2C)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide?
The InChIKey is INAYPOQJEJNKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-19-17-22(32-21-7-5-4-6-8-21)11-12-29(19)25(30)26-20-9-10-24(31-3)23(18-20)28-15-13-27(2)14-16-28/h4-10,18-19,22H,11-17H2,1-3H3,(H,26,30).
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methyl-4-phenoxypiperidine-1-carboxamide is sourced from PubChem (CID 140993279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).