1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide

C25H47N5O3S — CID 46276243

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCC(N4CCCCC4)CC3)C2)CC1
InChIInChI=1S/C25H47N5O3S/c1-22-8-19-29(20-9-22)34(32,33)30-16-5-7-23(21-30)25(31)26-12-6-13-27-17-10-24(11-18-27)28-14-3-2-4-15-28/h22-24H,2-21H2,1H3,(H,26,31)
InChIKeyMXYZAPMOVJUMHE-UHFFFAOYSA-N
MW497.75 g/mol
LogP2.13
Rot. Bonds8

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 46276243) has the molecular formula C25H47N5O3S and a molecular weight of 497.75 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID46276243
Molecular FormulaC25H47N5O3S
Molecular Weight497.75 g/mol
Exact Mass497.34
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCC(N4CCCCC4)CC3)C2)CC1
InChIInChI=1S/C25H47N5O3S/c1-22-8-19-29(20-9-22)34(32,33)30-16-5-7-23(21-30)25(31)26-12-6-13-27-17-10-24(11-18-27)28-14-3-2-4-15-28/h22-24H,2-21H2,1H3,(H,26,31)
InChIKeyMXYZAPMOVJUMHE-UHFFFAOYSA-N
XLogP2.13
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.75
LogP ≤ 52.13
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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Related Compounds

(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55716455
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3236692
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 55526667
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 46273860
(3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92687076
(3S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 98477675
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4047398
N-[2-(4-ethoxyphenyl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20911420

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide (CID 46276243) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCC(N4CCCCC4)CC3)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is MXYZAPMOVJUMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N5O3S/c1-22-8-19-29(20-9-22)34(32,33)30-16-5-7-23(21-30)25(31)26-12-6-13-27-17-10-24(11-18-27)28-14-3-2-4-15-28/h22-24H,2-21H2,1H3,(H,26,31).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 497.75 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 46276243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).