N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

C22H28N4O3 — CID 53370060

IUPACN-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)C(C)NC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-17(21(27)23-16-18-8-10-20(29-2)11-9-18)24-22(28)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyLREFQORLEBSRCM-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.23
Rot. Bonds6

About N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 53370060) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID53370060
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)C(C)NC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-17(21(27)23-16-18-8-10-20(29-2)11-9-18)24-22(28)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyLREFQORLEBSRCM-UHFFFAOYSA-N
XLogP2.23
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897823
N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52899407
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 94975757
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
N-[(4-methoxyphenyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961407
N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35688690
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899538
N-[(4-methoxyphenyl)methyl]-5-[(4-phenylpiperazine-1-carbonyl)amino]thiadiazole-4-carboxamide
CID 17037039
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55589558
N-[(2S)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829736

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide (CID 53370060) is N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide is COc1ccc(CNC(=O)C(C)NC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is LREFQORLEBSRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-17(21(27)23-16-18-8-10-20(29-2)11-9-18)24-22(28)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 53370060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).