N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C26H35N3O3 — CID 78845751

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCOc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C26H35N3O3/c1-19(2)25(30)28-16-14-21(15-17-28)26(31)29(23-10-12-24(32-5)13-11-23)18-20-6-8-22(9-7-20)27(3)4/h6-13,19,21H,14-18H2,1-5H3
InChIKeyKZUGTHNVSXGBPX-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.19
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 78845751) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID78845751
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCOc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C26H35N3O3/c1-19(2)25(30)28-16-14-21(15-17-28)26(31)29(23-10-12-24(32-5)13-11-23)18-20-6-8-22(9-7-20)27(3)4/h6-13,19,21H,14-18H2,1-5H3
InChIKeyKZUGTHNVSXGBPX-UHFFFAOYSA-N
XLogP4.19
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 134012078
N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
CID 113006682
N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 5311121
2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid
CID 20871784
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757398
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide
CID 78837535
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31425300
(1S)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;ethanol;dihydrochloride
CID 67184573
1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55719859
N-[[4-(dimethylamino)phenyl]methyl]-2-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 78813348
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 78845819
1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 78845751) is N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is KZUGTHNVSXGBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-19(2)25(30)28-16-14-21(15-17-28)26(31)29(23-10-12-24(32-5)13-11-23)18-20-6-8-22(9-7-20)27(3)4/h6-13,19,21H,14-18H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-(4-methoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 78845751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).