(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

C20H32N4O — CID 92987492

IUPAC(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ccccc1N1CCN([C@@H](C)C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C20H32N4O/c1-17-7-3-4-8-19(17)24-15-13-23(14-16-24)18(2)20(25)21-9-12-22-10-5-6-11-22/h3-4,7-8,18H,5-6,9-16H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyHKEGVNFNJHWECQ-SFHVURJKSA-N
MW344.50 g/mol
LogP1.72
Rot. Bonds6

About (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 92987492) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID92987492
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1ccccc1N1CCN([C@@H](C)C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C20H32N4O/c1-17-7-3-4-8-19(17)24-15-13-23(14-16-24)18(2)20(25)21-9-12-22-10-5-6-11-22/h3-4,7-8,18H,5-6,9-16H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyHKEGVNFNJHWECQ-SFHVURJKSA-N
XLogP1.72
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18086306
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide
CID 110884150
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460029
1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide
CID 42880898
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 92987715
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 92987492) is (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is Cc1ccccc1N1CCN([C@@H](C)C(=O)NCCN2CCCC2)CC1.
What is the InChIKey of (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is HKEGVNFNJHWECQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N4O/c1-17-7-3-4-8-19(17)24-15-13-23(14-16-24)18(2)20(25)21-9-12-22-10-5-6-11-22/h3-4,7-8,18H,5-6,9-16H2,1-2H3,(H,21,25)/t18-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 344.50 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 92987492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).