4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide

C24H40N4O3 — CID 86964366

IUPAC4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide
SMILESCOCCOC1CCN(C(=O)NC(C)CCN2CCN(c3cccc(C)c3)CC2)CC1
InChIInChI=1S/C24H40N4O3/c1-20-5-4-6-22(19-20)27-15-13-26(14-16-27)10-7-21(2)25-24(29)28-11-8-23(9-12-28)31-18-17-30-3/h4-6,19,21,23H,7-18H2,1-3H3,(H,25,29)
InChIKeyNKMBALFDEPXRFW-UHFFFAOYSA-N
MW432.61 g/mol
LogP2.73
Rot. Bonds9

About 4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide

4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide (PubChem CID 86964366) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide
PubChem CID86964366
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC Name4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide
SMILESCOCCOC1CCN(C(=O)NC(C)CCN2CCN(c3cccc(C)c3)CC2)CC1
InChIInChI=1S/C24H40N4O3/c1-20-5-4-6-22(19-20)27-15-13-26(14-16-27)10-7-21(2)25-24(29)28-11-8-23(9-12-28)31-18-17-30-3/h4-6,19,21,23H,7-18H2,1-3H3,(H,25,29)
InChIKeyNKMBALFDEPXRFW-UHFFFAOYSA-N
XLogP2.73
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 52.73
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

1-[4-(3-aminopropoxy)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 119663793
trans-(1S,2S)-2-methyl-N-[(2S)-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 36635694
5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide
CID 78868715
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]thiophene-2-carboxamide
CID 55662630
3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
CID 55662778
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
3-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-nitrobenzamide
CID 55662809
1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide
CID 55762459
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
CID 119349672
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide
CID 60501653
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52738130
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119647186

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide (CID 86964366) is 4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide is COCCOC1CCN(C(=O)NC(C)CCN2CCN(c3cccc(C)c3)CC2)CC1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide?
The InChIKey is NKMBALFDEPXRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O3/c1-20-5-4-6-22(19-20)27-15-13-26(14-16-27)10-7-21(2)25-24(29)28-11-8-23(9-12-28)31-18-17-30-3/h4-6,19,21,23H,7-18H2,1-3H3,(H,25,29).
What are the key properties of 4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide?
4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide has a molecular weight of 432.61 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86964366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).