N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide

C26H33N3O2 — CID 45238946

IUPACN-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
SMILESCN(C(=O)CCN1Cc2ccccc2C1=O)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C26H33N3O2/c1-27(25(30)15-18-29-19-22-12-5-6-14-24(22)26(29)31)23-13-8-17-28(20-23)16-7-11-21-9-3-2-4-10-21/h2-6,9-10,12,14,23H,7-8,11,13,15-20H2,1H3
InChIKeyXOBGPSQLSVWLLV-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.59
Rot. Bonds8

About N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide

N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide (PubChem CID 45238946) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
PubChem CID45238946
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
SMILESCN(C(=O)CCN1Cc2ccccc2C1=O)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C26H33N3O2/c1-27(25(30)15-18-29-19-22-12-5-6-14-24(22)26(29)31)23-13-8-17-28(20-23)16-7-11-21-9-3-2-4-10-21/h2-6,9-10,12,14,23H,7-8,11,13,15-20H2,1H3
InChIKeyXOBGPSQLSVWLLV-UHFFFAOYSA-N
XLogP3.59
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45225536
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
CID 45240726
2-[3-[4-(dimethylamino)azepan-1-yl]-3-oxopropyl]-3H-isoindol-1-one
CID 56903278
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 25364028
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45241139
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 42346476
methyl 3-[methyl-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 42245037
1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 42510266
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
The IUPAC name of N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide (CID 45238946) is N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide is CN(C(=O)CCN1Cc2ccccc2C1=O)C1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
The InChIKey is XOBGPSQLSVWLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-27(25(30)15-18-29-19-22-12-5-6-14-24(22)26(29)31)23-13-8-17-28(20-23)16-7-11-21-9-3-2-4-10-21/h2-6,9-10,12,14,23H,7-8,11,13,15-20H2,1H3.
What are the key properties of N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide?
N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide has a molecular weight of 419.57 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45238946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).