N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide

C22H33N3O2 — CID 167940137

IUPACN-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide
SMILESCN(CC1CCNCC1)C(=O)C(=O)N1CCCC1CCCc1ccccc1
InChIInChI=1S/C22H33N3O2/c1-24(17-19-12-14-23-15-13-19)21(26)22(27)25-16-6-11-20(25)10-5-9-18-7-3-2-4-8-18/h2-4,7-8,19-20,23H,5-6,9-17H2,1H3
InChIKeyDDWVOKQKNGEENO-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.46
Rot. Bonds6

About N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide

N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide (PubChem CID 167940137) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide
PubChem CID167940137
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide
SMILESCN(CC1CCNCC1)C(=O)C(=O)N1CCCC1CCCc1ccccc1
InChIInChI=1S/C22H33N3O2/c1-24(17-19-12-14-23-15-13-19)21(26)22(27)25-16-6-11-20(25)10-5-9-18-7-3-2-4-8-18/h2-4,7-8,19-20,23H,5-6,9-17H2,1H3
InChIKeyDDWVOKQKNGEENO-UHFFFAOYSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 99777092
2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 120705338
4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine
CID 119930243
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018496
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853
1-[2-oxo-2-[(2R)-2-(3-phenylpropyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 129393001
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
(2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide
CID 129429786
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide (CID 167940137) is N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide is CN(CC1CCNCC1)C(=O)C(=O)N1CCCC1CCCc1ccccc1.
What is the InChIKey of N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide?
The InChIKey is DDWVOKQKNGEENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-24(17-19-12-14-23-15-13-19)21(26)22(27)25-16-6-11-20(25)10-5-9-18-7-3-2-4-8-18/h2-4,7-8,19-20,23H,5-6,9-17H2,1H3.
What are the key properties of N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide?
N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide has a molecular weight of 371.53 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide is sourced from PubChem (CID 167940137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).