1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide

C23H36N4O3 — CID 171143787

IUPAC1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCOCCN1C(=O)CCC(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1C
InChIInChI=1S/C23H36N4O3/c1-19-21(9-10-22(28)27(19)17-18-30-2)23(29)24-11-6-12-25-13-15-26(16-14-25)20-7-4-3-5-8-20/h3-5,7-8,19,21H,6,9-18H2,1-2H3,(H,24,29)
InChIKeyDGFCSAULBIYHME-UHFFFAOYSA-N
MW416.57 g/mol
LogP1.59
Rot. Bonds9

About 1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide

1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 171143787) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID171143787
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCOCCN1C(=O)CCC(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1C
InChIInChI=1S/C23H36N4O3/c1-19-21(9-10-22(28)27(19)17-18-30-2)23(29)24-11-6-12-25-13-15-26(16-14-25)20-7-4-3-5-8-20/h3-5,7-8,19,21H,6,9-18H2,1-2H3,(H,24,29)
InChIKeyDGFCSAULBIYHME-UHFFFAOYSA-N
XLogP1.59
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 171143845
1-(2-methoxyethyl)-2-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 110939950
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
3-(4-phenylpiperazin-1-yl)propylcarbamodithioic acid
CID 88699307
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 171143923
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944
3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride
CID 119901932
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 110627179
2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
CID 78832067
methyl 1-[N'-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]piperidine-4-carboxylate
CID 111252989

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide (CID 171143787) is 1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide is COCCN1C(=O)CCC(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is DGFCSAULBIYHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-19-21(9-10-22(28)27(19)17-18-30-2)23(29)24-11-6-12-25-13-15-26(16-14-25)20-7-4-3-5-8-20/h3-5,7-8,19,21H,6,9-18H2,1-2H3,(H,24,29).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-6-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 171143787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).