2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride

C21H27ClN2O2 — CID 163326658

IUPAC2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-16-3-9-20(10-4-16)25-15-21(24)22-18-5-7-19(8-6-18)23-13-11-17(2)12-14-23;/h3-10,17H,11-15H2,1-2H3,(H,22,24);1H
InChIKeyVFNLNNNEGSRMJI-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.67
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride

2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride (PubChem CID 163326658) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride
PubChem CID163326658
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-16-3-9-20(10-4-16)25-15-21(24)22-18-5-7-19(8-6-18)23-13-11-17(2)12-14-23;/h3-10,17H,11-15H2,1-2H3,(H,22,24);1H
InChIKeyVFNLNNNEGSRMJI-UHFFFAOYSA-N
XLogP4.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 21234810
2-(4-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179607
2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
CID 112502701
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
2-[2-(4-methoxyphenoxy)ethylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109005273
2-(4-bromophenoxy)-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2948180
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 23740687
2-(2-cyanophenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9033723
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 3161566
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride (CID 163326658) is 2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride is Cc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1.Cl.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride?
The InChIKey is VFNLNNNEGSRMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-16-3-9-20(10-4-16)25-15-21(24)22-18-5-7-19(8-6-18)23-13-11-17(2)12-14-23;/h3-10,17H,11-15H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride?
2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 163326658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).