1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide

C21H41N5O3S — CID 3563959

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCN(C)CC3)C2)C1
InChIInChI=1S/C21H41N5O3S/c1-18-14-19(2)16-26(15-18)30(28,29)25-9-4-6-20(17-25)21(27)22-7-5-8-24-12-10-23(3)11-13-24/h18-20H,4-17H2,1-3H3,(H,22,27)
InChIKeyFHUKVDHZWUGGFA-UHFFFAOYSA-N
MW443.66 g/mol
LogP0.67
Rot. Bonds7

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 3563959) has the molecular formula C21H41N5O3S and a molecular weight of 443.66 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID3563959
Molecular FormulaC21H41N5O3S
Molecular Weight443.66 g/mol
Exact Mass443.29
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCN(C)CC3)C2)C1
InChIInChI=1S/C21H41N5O3S/c1-18-14-19(2)16-26(15-18)30(28,29)25-9-4-6-20(17-25)21(27)22-7-5-8-24-12-10-23(3)11-13-24/h18-20H,4-17H2,1-3H3,(H,22,27)
InChIKeyFHUKVDHZWUGGFA-UHFFFAOYSA-N
XLogP0.67
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 50.67
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

N-[3-(4-methylpiperidin-1-yl)propyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3243323
N-[2-(diethylamino)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3245025
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 5099315
Ethyl 4-[(3-{[3-(2-ethylpiperidin-1-YL)propyl]carbamoyl}piperidin-1-YL)sulfonyl]piperazine-1-carboxylate
CID 24789967
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4185001
N-(3-morpholin-4-ylpropyl)-1-(piperidin-1-ylsulfonyl)piperidine-3-carboxamide
CID 22552977
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3236692
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3237702
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3238739
N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 3317219
Ethyl 4-[(3-{[3-(3,5-dimethylpiperidin-1-YL)propyl]carbamoyl}piperidin-1-YL)sulfonyl]piperazine-1-carboxylate
CID 24789968
3,3'-(Piperazine-1,4-dicarbonyl)bis(piperidin-2-one)
CID 665083

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide (CID 3563959) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCCN3CCN(C)CC3)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is FHUKVDHZWUGGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5O3S/c1-18-14-19(2)16-26(15-18)30(28,29)25-9-4-6-20(17-25)21(27)22-7-5-8-24-12-10-23(3)11-13-24/h18-20H,4-17H2,1-3H3,(H,22,27).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 443.66 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 3563959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).