N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide

C23H37N5O4S — CID 146472018

IUPACN-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)C2CCCCC2)C1COC1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H37N5O4S/c1-33(30,31)26-20-9-5-14-28(22(29)18-7-3-2-4-8-18)21(20)17-32-19-10-15-27(16-11-19)23-24-12-6-13-25-23/h6,12-13,18-21,26H,2-5,7-11,14-17H2,1H3
InChIKeyWQEPEHVRALKPIC-UHFFFAOYSA-N
MW479.65 g/mol
LogP1.95
Rot. Bonds7

About N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide

N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 146472018) has the molecular formula C23H37N5O4S and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide
PubChem CID146472018
Molecular FormulaC23H37N5O4S
Molecular Weight479.65 g/mol
Exact Mass479.26
IUPAC NameN-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)C2CCCCC2)C1COC1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H37N5O4S/c1-33(30,31)26-20-9-5-14-28(22(29)18-7-3-2-4-8-18)21(20)17-32-19-10-15-27(16-11-19)23-24-12-6-13-25-23/h6,12-13,18-21,26H,2-5,7-11,14-17H2,1H3
InChIKeyWQEPEHVRALKPIC-UHFFFAOYSA-N
XLogP1.95
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2R,3S)-3-(methanesulfonamido)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
CID 130310231
N-[(2S,3R)-1-(oxetane-3-carbonyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472007
N-[1-(oxetane-3-carbonyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 130310402
N-[(6S,7R)-2-propan-2-yl-7-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide
CID 151910912
N-[(6S,7R)-2-(2-hydroxypropan-2-yl)-7-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]methanesulfonamide
CID 162702253
N-[(3R,4S)-1-pyridin-2-yl-3-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-4-yl]methanesulfonamide
CID 167125764
propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxylate
CID 146294610
methyl (2S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 175456724
N-[(2R,3S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 140802370
N-[(2R,3S)-1-(2-hydroxypropanoyl)-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472024
[methanesulfonamido-(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl] piperidine-1-carboxylate
CID 153483534
[(2R,3S)-3-amino-2-[[1-(2-chlorophenyl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854183

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide (CID 146472018) is N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)C2CCCCC2)C1COC1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is WQEPEHVRALKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O4S/c1-33(30,31)26-20-9-5-14-28(22(29)18-7-3-2-4-8-18)21(20)17-32-19-10-15-27(16-11-19)23-24-12-6-13-25-23/h6,12-13,18-21,26H,2-5,7-11,14-17H2,1H3.
What are the key properties of N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide?
N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 479.65 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 146472018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).