[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C19H32N4O4S — CID 45225562

IUPAC[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cn1c(CN2CCCC(C(=O)N3CCOCC3)C2)cnc1S(C)(=O)=O
InChIInChI=1S/C19H32N4O4S/c1-15(2)12-23-17(11-20-19(23)28(3,25)26)14-21-6-4-5-16(13-21)18(24)22-7-9-27-10-8-22/h11,15-16H,4-10,12-14H2,1-3H3
InChIKeyZOIXRMNXMLYVNR-UHFFFAOYSA-N
MW412.56 g/mol
LogP1.01
Rot. Bonds6

About [1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 45225562) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is [1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID45225562
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC Name[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cn1c(CN2CCCC(C(=O)N3CCOCC3)C2)cnc1S(C)(=O)=O
InChIInChI=1S/C19H32N4O4S/c1-15(2)12-23-17(11-20-19(23)28(3,25)26)14-21-6-4-5-16(13-21)18(24)22-7-9-27-10-8-22/h11,15-16H,4-10,12-14H2,1-3H3
InChIKeyZOIXRMNXMLYVNR-UHFFFAOYSA-N
XLogP1.01
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinecarboxamide
CID 45199276
N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 28392374
(3S)-1-isobutyl-4-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-methyl-2-piperazinone
CID 42098285
1-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-4-(1-piperidinylcarbonyl)piperidine
CID 42520757
4-[(1-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)methyl]morpholine
CID 45189550
1-[(1-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)methyl]-2-pyrrolidinone
CID 45202394
1-(1-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)ethanone
CID 45202528
1-[(1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)methyl]-2-pyrrolidinone
CID 45224517
4-[(1-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)carbonyl]morpholine
CID 45242758
N-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-3-(4-morpholinyl)-1-propanamine
CID 25287586
1-[2-(1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)ethyl]-2-pyrrolidinone
CID 26401811
1-[[(3R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 26406414

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 45225562) is [1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is CC(C)Cn1c(CN2CCCC(C(=O)N3CCOCC3)C2)cnc1S(C)(=O)=O.
What is the InChIKey of [1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ZOIXRMNXMLYVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-15(2)12-23-17(11-20-19(23)28(3,25)26)14-21-6-4-5-16(13-21)18(24)22-7-9-27-10-8-22/h11,15-16H,4-10,12-14H2,1-3H3.
What are the key properties of [1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 412.56 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45225562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).