N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H31N3O3S — CID 47036190

IUPACN-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCN(C(C)CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C16H31N3O3S/c1-13-5-4-8-18(12-13)14(2)11-17-16(20)15-6-9-19(10-7-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyPIGHNBUNNSXLHZ-UHFFFAOYSA-N
MW345.51 g/mol
LogP0.89
Rot. Bonds5

About N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 47036190) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID47036190
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC NameN-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCN(C(C)CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C16H31N3O3S/c1-13-5-4-8-18(12-13)14(2)11-17-16(20)15-6-9-19(10-7-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyPIGHNBUNNSXLHZ-UHFFFAOYSA-N
XLogP0.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 47036190) is N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide is CC1CCCN(C(C)CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is PIGHNBUNNSXLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-13-5-4-8-18(12-13)14(2)11-17-16(20)15-6-9-19(10-7-15)23(3,21)22/h13-15H,4-12H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47036190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).