N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide

C23H30N2O4S — CID 55945588

IUPACN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
SMILESCOc1cccc(CN2CCC(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)CC2)c1
InChIInChI=1S/C23H30N2O4S/c1-17(2)30(27,28)22-9-7-19(8-10-22)23(26)24-20-11-13-25(14-12-20)16-18-5-4-6-21(15-18)29-3/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,24,26)
InChIKeyPOORQVRKQCRYKG-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.27
Rot. Bonds7

About N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide

N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 55945588) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
PubChem CID55945588
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
SMILESCOc1cccc(CN2CCC(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)CC2)c1
InChIInChI=1S/C23H30N2O4S/c1-17(2)30(27,28)22-9-7-19(8-10-22)23(26)24-20-11-13-25(14-12-20)16-18-5-4-6-21(15-18)29-3/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,24,26)
InChIKeyPOORQVRKQCRYKG-UHFFFAOYSA-N
XLogP3.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dimethylpent-4-enamide
CID 126796768
2-chloro-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55945452
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053
6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55946355
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide
CID 55946465
4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482213

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide (CID 55945588) is N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide is COc1cccc(CN2CCC(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)CC2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is POORQVRKQCRYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17(2)30(27,28)22-9-7-19(8-10-22)23(26)24-20-11-13-25(14-12-20)16-18-5-4-6-21(15-18)29-3/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,24,26).
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide?
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55945588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).