N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide

C21H28N2OS — CID 45240726

IUPACN-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C21H28N2OS/c1-22(21(24)16-20-12-7-15-25-20)19-11-6-14-23(17-19)13-5-10-18-8-3-2-4-9-18/h2-4,7-9,12,15,19H,5-6,10-11,13-14,16-17H2,1H3
InChIKeyPNZAFTGXLDKOCG-UHFFFAOYSA-N
MW356.53 g/mol
LogP3.85
Rot. Bonds7

About N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide

N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 45240726) has the molecular formula C21H28N2OS and a molecular weight of 356.53 g/mol. Its IUPAC name is N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID45240726
Molecular FormulaC21H28N2OS
Molecular Weight356.53 g/mol
Exact Mass356.19
IUPAC NameN-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C21H28N2OS/c1-22(21(24)16-20-12-7-15-25-20)19-11-6-14-23(17-19)13-5-10-18-8-3-2-4-9-18/h2-4,7-9,12,15,19H,5-6,10-11,13-14,16-17H2,1H3
InChIKeyPNZAFTGXLDKOCG-UHFFFAOYSA-N
XLogP3.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45225536
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 25364028
N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45238946
N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine
CID 45189224
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 42346476
methyl 3-[methyl-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 42245037
1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 42510266
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide
CID 42095635
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide (CID 45240726) is N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide is CN(C(=O)Cc1cccs1)C1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is PNZAFTGXLDKOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-22(21(24)16-20-12-7-15-25-20)19-11-6-14-23(17-19)13-5-10-18-8-3-2-4-9-18/h2-4,7-9,12,15,19H,5-6,10-11,13-14,16-17H2,1H3.
What are the key properties of N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide?
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 356.53 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 45240726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).