2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C20H24Cl2N4O — CID 60502631

IUPAC2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H24Cl2N4O/c1-15-5-3-4-6-16(15)13-24(2)19(27)14-25-7-9-26(10-8-25)20-18(22)11-17(21)12-23-20/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeySHDFEUBQVRMYGP-UHFFFAOYSA-N
MW407.35 g/mol
LogP3.48
Rot. Bonds5

About 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 60502631) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID60502631
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H24Cl2N4O/c1-15-5-3-4-6-16(15)13-24(2)19(27)14-25-7-9-26(10-8-25)20-18(22)11-17(21)12-23-20/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeySHDFEUBQVRMYGP-UHFFFAOYSA-N
XLogP3.48
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methylacetamide
CID 55828625
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129035
N-methyl-N-[(2-methylphenyl)methyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 27122993
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570181
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119923943
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78877474
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60503239
ethyl 1-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 78787338

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 60502631) is 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)CN1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is SHDFEUBQVRMYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c1-15-5-3-4-6-16(15)13-24(2)19(27)14-25-7-9-26(10-8-25)20-18(22)11-17(21)12-23-20/h3-6,11-12H,7-10,13-14H2,1-2H3.
What are the key properties of 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 407.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 60502631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).