N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide

C23H28N2O3S — CID 51958600

IUPACN-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)[C@H](C)SCc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O3S/c1-17(29-16-18-7-4-3-5-8-18)23(27)25-13-11-20(12-14-25)24-22(26)19-9-6-10-21(15-19)28-2/h3-10,15,17,20H,11-14,16H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyLMPBNHGKXKCPJX-KRWDZBQOSA-N
MW412.56 g/mol
LogP3.74
Rot. Bonds7

About N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide

N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide (PubChem CID 51958600) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide
PubChem CID51958600
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)[C@H](C)SCc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O3S/c1-17(29-16-18-7-4-3-5-8-18)23(27)25-13-11-20(12-14-25)24-22(26)19-9-6-10-21(15-19)28-2/h3-10,15,17,20H,11-14,16H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyLMPBNHGKXKCPJX-KRWDZBQOSA-N
XLogP3.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550355
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide (CID 51958600) is N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(C(=O)[C@H](C)SCc3ccccc3)CC2)c1.
What is the InChIKey of N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is LMPBNHGKXKCPJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-17(29-16-18-7-4-3-5-8-18)23(27)25-13-11-20(12-14-25)24-22(26)19-9-6-10-21(15-19)28-2/h3-10,15,17,20H,11-14,16H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide?
N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 412.56 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 51958600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).