N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C18H28N2O5S — CID 47002026

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)ccc1OC(C)C
InChIInChI=1S/C18H28N2O5S/c1-13(2)25-16-6-5-14(11-17(16)24-3)12-19-18(21)15-7-9-20(10-8-15)26(4,22)23/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,19,21)
InChIKeyNBYSXZKZVKWXKQ-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.77
Rot. Bonds7

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 47002026) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID47002026
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)ccc1OC(C)C
InChIInChI=1S/C18H28N2O5S/c1-13(2)25-16-6-5-14(11-17(16)24-3)12-19-18(21)15-7-9-20(10-8-15)26(4,22)23/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,19,21)
InChIKeyNBYSXZKZVKWXKQ-UHFFFAOYSA-N
XLogP1.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92676575
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 28550165
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 100675418
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 113005041
N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550794
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 41498688
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90613388
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 43873049
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 47002026) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is COc1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NBYSXZKZVKWXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-13(2)25-16-6-5-14(11-17(16)24-3)12-19-18(21)15-7-9-20(10-8-15)26(4,22)23/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,19,21).
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47002026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).