N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

C15H22Cl3N3O — CID 119922555

IUPACN-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1.Cl
InChIInChI=1S/C15H21Cl2N3O.ClH/c1-18-9-11-4-6-20(7-5-11)10-15(21)19-14-8-12(16)2-3-13(14)17;/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,21);1H
InChIKeyNWPKWZFQRFYPKK-UHFFFAOYSA-N
MW366.72 g/mol
LogP3.29
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride

N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119922555) has the molecular formula C15H22Cl3N3O and a molecular weight of 366.72 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119922555
Molecular FormulaC15H22Cl3N3O
Molecular Weight366.72 g/mol
Exact Mass365.08
IUPAC NameN-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1.Cl
InChIInChI=1S/C15H21Cl2N3O.ClH/c1-18-9-11-4-6-20(7-5-11)10-15(21)19-14-8-12(16)2-3-13(14)17;/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,21);1H
InChIKeyNWPKWZFQRFYPKK-UHFFFAOYSA-N
XLogP3.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.72
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63263797
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 119922480
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
2-(4-cyanopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 48940747
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 81452927
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride (CID 119922555) is N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is CNCC1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1.Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is NWPKWZFQRFYPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O.ClH/c1-18-9-11-4-6-20(7-5-11)10-15(21)19-14-8-12(16)2-3-13(14)17;/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,21);1H.
What are the key properties of N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride?
N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 366.72 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119922555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).