(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone

C18H30N4O3S — CID 53007812

IUPAC(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)CC1
InChIInChI=1S/C18H30N4O3S/c1-14(2)21-12-17(19-13-21)26(24,25)22-10-6-16(7-11-22)18(23)20-8-4-15(3)5-9-20/h12-16H,4-11H2,1-3H3
InChIKeyURMVGHMBCWPMHP-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.12
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone (PubChem CID 53007812) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
PubChem CID53007812
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)CC1
InChIInChI=1S/C18H30N4O3S/c1-14(2)21-12-17(19-13-21)26(24,25)22-10-6-16(7-11-22)18(23)20-8-4-15(3)5-9-20/h12-16H,4-11H2,1-3H3
InChIKeyURMVGHMBCWPMHP-UHFFFAOYSA-N
XLogP2.12
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53085569
morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 93069070
N-(4-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085553
(4-ethylpiperazin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 53007851
[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 93069053
N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085542
N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085590
ethyl 4-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 53085575
N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085593
N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085539
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
CID 119105849
(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073466

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone (CID 53007812) is (4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone is CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is URMVGHMBCWPMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-14(2)21-12-17(19-13-21)26(24,25)22-10-6-16(7-11-22)18(23)20-8-4-15(3)5-9-20/h12-16H,4-11H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 382.53 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 53007812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).