N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide

C19H30N2OS — CID 42242327

IUPACN-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide
SMILESCSCCC(=O)N(CCc1ccccc1)C[C@@H]1CCCN(C)C1
InChIInChI=1S/C19H30N2OS/c1-20-12-6-9-18(15-20)16-21(19(22)11-14-23-2)13-10-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-/m1/s1
InChIKeyWNTFEVVCMGVUFK-GOSISDBHSA-N
MW334.53 g/mol
LogP3.15
Rot. Bonds8

About N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide

N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide (PubChem CID 42242327) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide
PubChem CID42242327
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide
SMILESCSCCC(=O)N(CCc1ccccc1)C[C@@H]1CCCN(C)C1
InChIInChI=1S/C19H30N2OS/c1-20-12-6-9-18(15-20)16-21(19(22)11-14-23-2)13-10-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-/m1/s1
InChIKeyWNTFEVVCMGVUFK-GOSISDBHSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-N-(2-phenylethyl)acetamide
CID 42152603
N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 45197006
2-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45211873
2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45210338
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-phenylpropanamide
CID 42245149
1-[4-[[(1-methylpiperidin-3-yl)methyl-(2-phenylethyl)amino]methyl]thiophen-2-yl]ethanone
CID 45222782
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291
N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide
CID 95208686
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-methylsulfanylethanone
CID 45175382
2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 42098691
N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide
CID 45178746
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide (CID 42242327) is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide is CSCCC(=O)N(CCc1ccccc1)C[C@@H]1CCCN(C)C1.
What is the InChIKey of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide?
The InChIKey is WNTFEVVCMGVUFK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-20-12-6-9-18(15-20)16-21(19(22)11-14-23-2)13-10-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide?
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide has a molecular weight of 334.53 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-methylsulfanyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42242327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).