N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide

C17H27N3O — CID 50968007

IUPACN-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(C(C)C)C(C)C2)cc1
InChIInChI=1S/C17H27N3O/c1-13(2)20-10-9-19(11-14(20)3)12-16-5-7-17(8-6-16)18-15(4)21/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)
InChIKeyBBWGUIMMFKDRME-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.56
Rot. Bonds4

About N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide

N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide (PubChem CID 50968007) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
PubChem CID50968007
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(C(C)C)C(C)C2)cc1
InChIInChI=1S/C17H27N3O/c1-13(2)20-10-9-19(11-14(20)3)12-16-5-7-17(8-6-16)18-15(4)21/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)
InChIKeyBBWGUIMMFKDRME-UHFFFAOYSA-N
XLogP2.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(3R)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]methyl]phenyl]acetamide
CID 98589494
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 115314944
N-[4-[[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 45183025
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
CID 66203384
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
CID 133133229
2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide
CID 55627394
2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 42962486

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide (CID 50968007) is N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCN(C(C)C)C(C)C2)cc1.
What is the InChIKey of N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide?
The InChIKey is BBWGUIMMFKDRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)20-10-9-19(11-14(20)3)12-16-5-7-17(8-6-16)18-15(4)21/h5-8,13-14H,9-12H2,1-4H3,(H,18,21).
What are the key properties of N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide?
N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 50968007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).