N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide

C23H30N2OS — CID 25364028

IUPACN-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
SMILESCSc1ccccc1C(=O)N(C)[C@H]1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H30N2OS/c1-24(23(26)21-14-6-7-15-22(21)27-2)20-13-9-17-25(18-20)16-8-12-19-10-4-3-5-11-19/h3-7,10-11,14-15,20H,8-9,12-13,16-18H2,1-2H3/t20-/m0/s1
InChIKeyLDNYKKMZIQRADR-FQEVSTJZSA-N
MW382.57 g/mol
LogP4.58
Rot. Bonds7

About N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide

N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide (PubChem CID 25364028) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
PubChem CID25364028
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC NameN-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
SMILESCSc1ccccc1C(=O)N(C)[C@H]1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H30N2OS/c1-24(23(26)21-14-6-7-15-22(21)27-2)20-13-9-17-25(18-20)16-8-12-19-10-4-3-5-11-19/h3-7,10-11,14-15,20H,8-9,12-13,16-18H2,1-2H3/t20-/m0/s1
InChIKeyLDNYKKMZIQRADR-FQEVSTJZSA-N
XLogP4.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide
CID 42095635
N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 95725795
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
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
CID 45240726
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45225536
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide?
The IUPAC name of N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide (CID 25364028) is N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide is CSc1ccccc1C(=O)N(C)[C@H]1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide?
The InChIKey is LDNYKKMZIQRADR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-24(23(26)21-14-6-7-15-22(21)27-2)20-13-9-17-25(18-20)16-8-12-19-10-4-3-5-11-19/h3-7,10-11,14-15,20H,8-9,12-13,16-18H2,1-2H3/t20-/m0/s1.
What are the key properties of N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide?
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide has a molecular weight of 382.57 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 25364028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).