N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

C17H27N3O2S — CID 113003575

IUPACN-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESCN(C)CCCNC(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C17H27N3O2S/c1-19(2)9-4-8-18-17(22)14-6-10-20(11-7-14)16(21)13-15-5-3-12-23-15/h3,5,12,14H,4,6-11,13H2,1-2H3,(H,18,22)
InChIKeyMNEQBPZNKYXDIO-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.60
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 113003575) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
PubChem CID113003575
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESCN(C)CCCNC(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C17H27N3O2S/c1-19(2)9-4-8-18-17(22)14-6-10-20(11-7-14)16(21)13-15-5-3-12-23-15/h3,5,12,14H,4,6-11,13H2,1-2H3,(H,18,22)
InChIKeyMNEQBPZNKYXDIO-UHFFFAOYSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113004008
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
N-[3-(dimethylamino)propyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003574
(2S)-N-[3-(dimethylamino)propyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739080
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
methyl 4-[[1-(2-thiophen-2-ylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008012
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008331
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
N-(3,4-dichlorophenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113008520
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (CID 113003575) is N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is CN(C)CCCNC(=O)C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is MNEQBPZNKYXDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-19(2)9-4-8-18-17(22)14-6-10-20(11-7-14)16(21)13-15-5-3-12-23-15/h3,5,12,14H,4,6-11,13H2,1-2H3,(H,18,22).
What are the key properties of N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 113003575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).