N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C19H29N3O4S — CID 3242418

IUPACN-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C19H29N3O4S/c1-26-18-7-5-6-16(14-18)15-20-19(23)17-8-12-22(13-9-17)27(24,25)21-10-3-2-4-11-21/h5-7,14,17H,2-4,8-13,15H2,1H3,(H,20,23)
InChIKeyCZOYGGFDHHSHQN-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.75
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3242418) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3242418
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C19H29N3O4S/c1-26-18-7-5-6-16(14-18)15-20-19(23)17-8-12-22(13-9-17)27(24,25)21-10-3-2-4-11-21/h5-7,14,17H,2-4,8-13,15H2,1H3,(H,20,23)
InChIKeyCZOYGGFDHHSHQN-UHFFFAOYSA-N
XLogP1.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3242418) is N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is CZOYGGFDHHSHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-26-18-7-5-6-16(14-18)15-20-19(23)17-8-12-22(13-9-17)27(24,25)21-10-3-2-4-11-21/h5-7,14,17H,2-4,8-13,15H2,1H3,(H,20,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3242418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).