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

C19H36N4O3S — CID 15996428

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O3S/c1-17-5-13-21(14-6-17)10-4-9-20-19(24)18-7-15-23(16-8-18)27(25,26)22-11-2-3-12-22/h17-18H,2-16H2,1H3,(H,20,24)
InChIKeyHMWWURAPQJNESV-UHFFFAOYSA-N
MW400.59 g/mol
LogP1.28
Rot. Bonds7

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

N-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 15996428) has the molecular formula C19H36N4O3S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID15996428
Molecular FormulaC19H36N4O3S
Molecular Weight400.59 g/mol
Exact Mass400.25
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O3S/c1-17-5-13-21(14-6-17)10-4-9-20-19(24)18-7-15-23(16-8-18)27(25,26)22-11-2-3-12-22/h17-18H,2-16H2,1H3,(H,20,24)
InChIKeyHMWWURAPQJNESV-UHFFFAOYSA-N
XLogP1.28
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 51.28
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-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 15996428) is N-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is HMWWURAPQJNESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3S/c1-17-5-13-21(14-6-17)10-4-9-20-19(24)18-7-15-23(16-8-18)27(25,26)22-11-2-3-12-22/h17-18H,2-16H2,1H3,(H,20,24).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 400.59 g/mol, XLogP of 1.28, 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-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 15996428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).