N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C20H38N4O3S — CID 3243323

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O3S/c1-18-6-14-22(15-7-18)11-5-10-21-20(25)19-8-16-24(17-9-19)28(26,27)23-12-3-2-4-13-23/h18-19H,2-17H2,1H3,(H,21,25)
InChIKeyXNRVZGFYJHWWMF-UHFFFAOYSA-N
MW414.62 g/mol
LogP1.67
Rot. Bonds7

About N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3243323) has the molecular formula C20H38N4O3S and a molecular weight of 414.62 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3243323
Molecular FormulaC20H38N4O3S
Molecular Weight414.62 g/mol
Exact Mass414.27
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O3S/c1-18-6-14-22(15-7-18)11-5-10-21-20(25)19-8-16-24(17-9-19)28(26,27)23-12-3-2-4-13-23/h18-19H,2-17H2,1H3,(H,21,25)
InChIKeyXNRVZGFYJHWWMF-UHFFFAOYSA-N
XLogP1.67
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3243323) is N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is XNRVZGFYJHWWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3S/c1-18-6-14-22(15-7-18)11-5-10-21-20(25)19-8-16-24(17-9-19)28(26,27)23-12-3-2-4-13-23/h18-19H,2-17H2,1H3,(H,21,25).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 414.62 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3243323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).