N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide

C20H30N2OS — CID 45241984

IUPACN-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C2CCSC2)CC1
InChIInChI=1S/C20H30N2OS/c1-21(15-18-5-3-2-4-6-18)20(23)8-7-17-9-12-22(13-10-17)19-11-14-24-16-19/h2-6,17,19H,7-16H2,1H3
InChIKeyQLKALBUKKOZJDM-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.64
Rot. Bonds6

About N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide

N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide (PubChem CID 45241984) has the molecular formula C20H30N2OS and a molecular weight of 346.54 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
PubChem CID45241984
Molecular FormulaC20H30N2OS
Molecular Weight346.54 g/mol
Exact Mass346.21
IUPAC NameN-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C2CCSC2)CC1
InChIInChI=1S/C20H30N2OS/c1-21(15-18-5-3-2-4-6-18)20(23)8-7-17-9-12-22(13-10-17)19-11-14-24-16-19/h2-6,17,19H,7-16H2,1H3
InChIKeyQLKALBUKKOZJDM-UHFFFAOYSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione
CID 3817475
N-methyl-1-[3-(methylthio)propanoyl]-N-(2-phenylethyl)piperidin-3-amine
CID 23723498
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
3-Methyl-1-[4-(4-methylsulfanyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742527
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-fluorobenzyl)-3-methylbutanamide
CID 2986788
1-(4-benzylpiperazin-1-yl)-5-[(3R)-dithiolan-3-yl]pentan-1-one
CID 96558420
5-(Dithiolan-3-yl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pentan-1-one
CID 132524206
2,2-Dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 155524881

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide (CID 45241984) is N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide is CN(Cc1ccccc1)C(=O)CCC1CCN(C2CCSC2)CC1.
What is the InChIKey of N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The InChIKey is QLKALBUKKOZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS/c1-21(15-18-5-3-2-4-6-18)20(23)8-7-17-9-12-22(13-10-17)19-11-14-24-16-19/h2-6,17,19H,7-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide has a molecular weight of 346.54 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45241984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).