N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide

C27H38N4O — CID 43956875

IUPACN-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
SMILESCN(C)c1ccc(C(CNC(=O)C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H38N4O/c1-29(2)24-15-13-22(14-16-24)26(21-28-27(32)23-9-5-3-6-10-23)31-19-17-30(18-20-31)25-11-7-4-8-12-25/h4,7-8,11-16,23,26H,3,5-6,9-10,17-21H2,1-2H3,(H,28,32)
InChIKeyXBNSLFVFRZTRAM-UHFFFAOYSA-N
MW434.63 g/mol
LogP4.31
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide

N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 43956875) has the molecular formula C27H38N4O and a molecular weight of 434.63 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID43956875
Molecular FormulaC27H38N4O
Molecular Weight434.63 g/mol
Exact Mass434.30
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
SMILESCN(C)c1ccc(C(CNC(=O)C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H38N4O/c1-29(2)24-15-13-22(14-16-24)26(21-28-27(32)23-9-5-3-6-10-23)31-19-17-30(18-20-31)25-11-7-4-8-12-25/h4,7-8,11-16,23,26H,3,5-6,9-10,17-21H2,1-2H3,(H,28,32)
InChIKeyXBNSLFVFRZTRAM-UHFFFAOYSA-N
XLogP4.31
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclopropanecarboxamide
CID 7497387
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclohexanecarboxamide
CID 43956108
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
CID 7496289
N-benzyl-N'-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 43996755
N'-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-N-propyloxamide
CID 18583716
ethyl N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 7497445
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 7497385
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide
CID 18583589
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 30509392
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 43956882
N'-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 43996766

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide (CID 43956875) is N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide is CN(C)c1ccc(C(CNC(=O)C2CCCCC2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is XBNSLFVFRZTRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O/c1-29(2)24-15-13-22(14-16-24)26(21-28-27(32)23-9-5-3-6-10-23)31-19-17-30(18-20-31)25-11-7-4-8-12-25/h4,7-8,11-16,23,26H,3,5-6,9-10,17-21H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 434.63 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 43956875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).