N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide

C19H29N3O2 — CID 71877589

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCN(C)CC2C)C2CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-14-12-21(2)10-11-22(14)13-18(23)20-19(15-4-5-15)16-6-8-17(24-3)9-7-16/h6-9,14-15,19H,4-5,10-13H2,1-3H3,(H,20,23)
InChIKeyJJJKFFYMEIDXLB-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.90
Rot. Bonds6

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide (PubChem CID 71877589) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
PubChem CID71877589
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCN(C)CC2C)C2CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-14-12-21(2)10-11-22(14)13-18(23)20-19(15-4-5-15)16-6-8-17(24-3)9-7-16/h6-9,14-15,19H,4-5,10-13H2,1-3H3,(H,20,23)
InChIKeyJJJKFFYMEIDXLB-UHFFFAOYSA-N
XLogP1.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopentyl(phenyl)methyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094338
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 100895743
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113849
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 56802966
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906984
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778855
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443595
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 55523800
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide (CID 71877589) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide is COc1ccc(C(NC(=O)CN2CCN(C)CC2C)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The InChIKey is JJJKFFYMEIDXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-12-21(2)10-11-22(14)13-18(23)20-19(15-4-5-15)16-6-8-17(24-3)9-7-16/h6-9,14-15,19H,4-5,10-13H2,1-3H3,(H,20,23).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71877589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).