N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide

C20H30N4O2 — CID 119060645

IUPACN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCN1CCC(C)(CNC(=O)N2CCN(CCc3ccccc3)C(=O)C2)C1
InChIInChI=1S/C20H30N4O2/c1-20(9-11-22(2)16-20)15-21-19(26)24-13-12-23(18(25)14-24)10-8-17-6-4-3-5-7-17/h3-7H,8-16H2,1-2H3,(H,21,26)
InChIKeyHLWJKKDVLDUVDZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.42
Rot. Bonds5

About N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide

N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 119060645) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID119060645
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCN1CCC(C)(CNC(=O)N2CCN(CCc3ccccc3)C(=O)C2)C1
InChIInChI=1S/C20H30N4O2/c1-20(9-11-22(2)16-20)15-21-19(26)24-13-12-23(18(25)14-24)10-8-17-6-4-3-5-7-17/h3-7H,8-16H2,1-2H3,(H,21,26)
InChIKeyHLWJKKDVLDUVDZ-UHFFFAOYSA-N
XLogP1.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-4-(2-phenylethyl)-N-(3-pyrrol-1-ylpropyl)piperazine-1-carboxamide
CID 122565144
5-[(1,3-dimethylpyrrolidin-3-yl)methylcarbamoyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 131897342
4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 126451846
N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 126450581
4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one
CID 91786581
4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one
CID 91771683
4-(2,4-dimethylphenyl)-N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 126435165
4-(2,4-dimethylphenyl)-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 126435166
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 126429089
4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one
CID 29259304
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide (CID 119060645) is N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide is CN1CCC(C)(CNC(=O)N2CCN(CCc3ccccc3)C(=O)C2)C1.
What is the InChIKey of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is HLWJKKDVLDUVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-20(9-11-22(2)16-20)15-21-19(26)24-13-12-23(18(25)14-24)10-8-17-6-4-3-5-7-17/h3-7H,8-16H2,1-2H3,(H,21,26).
What are the key properties of N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide?
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-oxo-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 119060645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).