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

C24H45N5O3S — CID 46273861

IUPACN-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCC(N2CCCCC2)CC1)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C24H45N5O3S/c30-24(22-9-7-18-29(21-22)33(31,32)28-16-5-2-6-17-28)25-12-8-13-26-19-10-23(11-20-26)27-14-3-1-4-15-27/h22-23H,1-21H2,(H,25,30)
InChIKeyLRRYWBPMPLLUGV-UHFFFAOYSA-N
MW483.72 g/mol
LogP1.89
Rot. Bonds8

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

N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 46273861) has the molecular formula C24H45N5O3S and a molecular weight of 483.72 g/mol. Its IUPAC name is N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID46273861
Molecular FormulaC24H45N5O3S
Molecular Weight483.72 g/mol
Exact Mass483.32
IUPAC NameN-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCC(N2CCCCC2)CC1)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C24H45N5O3S/c30-24(22-9-7-18-29(21-22)33(31,32)28-16-5-2-6-17-28)25-12-8-13-26-19-10-23(11-20-26)27-14-3-1-4-15-27/h22-23H,1-21H2,(H,25,30)
InChIKeyLRRYWBPMPLLUGV-UHFFFAOYSA-N
XLogP1.89
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (CID 46273861) is N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is O=C(NCCCN1CCC(N2CCCCC2)CC1)C1CCCN(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is LRRYWBPMPLLUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N5O3S/c30-24(22-9-7-18-29(21-22)33(31,32)28-16-5-2-6-17-28)25-12-8-13-26-19-10-23(11-20-26)27-14-3-1-4-15-27/h22-23H,1-21H2,(H,25,30).
What are the key properties of N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 483.72 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46273861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).