N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide

C21H27N3O2S — CID 1066480

IUPACN-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)Cc3cccs3)ccc2N(C)C)CC1
InChIInChI=1S/C21H27N3O2S/c1-15-8-10-24(11-9-15)21(26)18-13-16(6-7-19(18)23(2)3)22-20(25)14-17-5-4-12-27-17/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,25)
InChIKeyRKHBYYUFNGWCLK-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.87
Rot. Bonds5

About N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 1066480) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID1066480
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)Cc3cccs3)ccc2N(C)C)CC1
InChIInChI=1S/C21H27N3O2S/c1-15-8-10-24(11-9-15)21(26)18-13-16(6-7-19(18)23(2)3)22-20(25)14-17-5-4-12-27-17/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,25)
InChIKeyRKHBYYUFNGWCLK-UHFFFAOYSA-N
XLogP3.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9302925
N-benzyl-2-(4-methylpiperidin-1-yl)-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1064756
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 3900992
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1066262
N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55993255
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272
N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide
CID 42747286
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide (CID 1066480) is N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide is CC1CCN(C(=O)c2cc(NC(=O)Cc3cccs3)ccc2N(C)C)CC1.
What is the InChIKey of N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is RKHBYYUFNGWCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-15-8-10-24(11-9-15)21(26)18-13-16(6-7-19(18)23(2)3)22-20(25)14-17-5-4-12-27-17/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 385.53 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-(4-methylpiperidine-1-carbonyl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1066480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).