2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide

C20H32N4O — CID 95215856

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)NC[C@@H]3CCCN(C)C3)CC2)c1
InChIInChI=1S/C20H32N4O/c1-17-5-3-7-19(13-17)24-11-9-23(10-12-24)16-20(25)21-14-18-6-4-8-22(2)15-18/h3,5,7,13,18H,4,6,8-12,14-16H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyLBAIRUBQSHQYSB-SFHVURJKSA-N
MW344.50 g/mol
LogP1.58
Rot. Bonds5

About 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide

2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide (PubChem CID 95215856) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
PubChem CID95215856
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)NC[C@@H]3CCCN(C)C3)CC2)c1
InChIInChI=1S/C20H32N4O/c1-17-5-3-7-19(13-17)24-11-9-23(10-12-24)16-20(25)21-14-18-6-4-8-22(2)15-18/h3,5,7,13,18H,4,6,8-12,14-16H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyLBAIRUBQSHQYSB-SFHVURJKSA-N
XLogP1.58
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
CID 110640432
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382297
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-[(2R)-oxan-2-yl]ethyl]acetamide
CID 99974038
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[2-(oxan-2-yl)ethyl]acetamide
CID 86285043
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
3-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;dihydrochloride
CID 119513309
N-cyclopentyl-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 60504984
N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34732047
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
CID 110413858
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(oxolan-3-yl)acetamide
CID 86286611

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide (CID 95215856) is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide is Cc1cccc(N2CCN(CC(=O)NC[C@@H]3CCCN(C)C3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide?
The InChIKey is LBAIRUBQSHQYSB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N4O/c1-17-5-3-7-19(13-17)24-11-9-23(10-12-24)16-20(25)21-14-18-6-4-8-22(2)15-18/h3,5,7,13,18H,4,6,8-12,14-16H2,1-2H3,(H,21,25)/t18-/m0/s1.
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide?
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95215856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).