N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide

C19H28N4O3 — CID 136579572

IUPACN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)N3CCNC(=O)C3)CC2)cc1
InChIInChI=1S/C19H28N4O3/c1-26-17-4-2-16(3-5-17)13-22-9-6-15(7-10-22)12-21-19(25)23-11-8-20-18(24)14-23/h2-5,15H,6-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyFRUIJJOUEXVGRY-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.05
Rot. Bonds5

About N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide (PubChem CID 136579572) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide
PubChem CID136579572
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)N3CCNC(=O)C3)CC2)cc1
InChIInChI=1S/C19H28N4O3/c1-26-17-4-2-16(3-5-17)13-22-9-6-15(7-10-22)12-21-19(25)23-11-8-20-18(24)14-23/h2-5,15H,6-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyFRUIJJOUEXVGRY-UHFFFAOYSA-N
XLogP1.05
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 122568839
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119865560
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95041527
N'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60586835
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide
CID 154779710
5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 154793920
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide (CID 136579572) is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide is COc1ccc(CN2CCC(CNC(=O)N3CCNC(=O)C3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is FRUIJJOUEXVGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-26-17-4-2-16(3-5-17)13-22-9-6-15(7-10-22)12-21-19(25)23-11-8-20-18(24)14-23/h2-5,15H,6-14H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide?
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 136579572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).