N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide

C17H29N3OS — CID 119830049

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(c1cccs1)N(C)C)C1CCNCC1
InChIInChI=1S/C17H29N3OS/c1-13(14-6-8-18-9-7-14)11-17(21)19-12-15(20(2)3)16-5-4-10-22-16/h4-5,10,13-15,18H,6-9,11-12H2,1-3H3,(H,19,21)
InChIKeySDCYOLNAIPKYPR-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119830049) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide
PubChem CID119830049
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(c1cccs1)N(C)C)C1CCNCC1
InChIInChI=1S/C17H29N3OS/c1-13(14-6-8-18-9-7-14)11-17(21)19-12-15(20(2)3)16-5-4-10-22-16/h4-5,10,13-15,18H,6-9,11-12H2,1-3H3,(H,19,21)
InChIKeySDCYOLNAIPKYPR-UHFFFAOYSA-N
XLogP2.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-thiophen-2-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119804198
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119850674
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
CID 43006702
N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine
CID 54902452
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide (CID 119830049) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC(c1cccs1)N(C)C)C1CCNCC1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is SDCYOLNAIPKYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-13(14-6-8-18-9-7-14)11-17(21)19-12-15(20(2)3)16-5-4-10-22-16/h4-5,10,13-15,18H,6-9,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 323.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119830049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).