N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide

C25H40N4O3S — CID 10457710

IUPACN-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)CC4CCCCC4)CC3)CC2)c1
InChIInChI=1S/C25H40N4O3S/c1-21(30)26-24-8-5-9-25(18-24)28-16-14-27(15-17-28)19-22-10-12-29(13-11-22)33(31,32)20-23-6-3-2-4-7-23/h5,8-9,18,22-23H,2-4,6-7,10-17,19-20H2,1H3,(H,26,30)
InChIKeyKSDUDINTMMXLNJ-UHFFFAOYSA-N
MW476.69 g/mol
LogP3.39
Rot. Bonds7

About N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide

N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 10457710) has the molecular formula C25H40N4O3S and a molecular weight of 476.69 g/mol. Its IUPAC name is N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide
PubChem CID10457710
Molecular FormulaC25H40N4O3S
Molecular Weight476.69 g/mol
Exact Mass476.28
IUPAC NameN-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)CC4CCCCC4)CC3)CC2)c1
InChIInChI=1S/C25H40N4O3S/c1-21(30)26-24-8-5-9-25(18-24)28-16-14-27(15-17-28)19-22-10-12-29(13-11-22)33(31,32)20-23-6-3-2-4-7-23/h5,8-9,18,22-23H,2-4,6-7,10-17,19-20H2,1H3,(H,26,30)
InChIKeyKSDUDINTMMXLNJ-UHFFFAOYSA-N
XLogP3.39
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.69
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-{4-[4-(2-methyl-propane-1-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
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N-[3-(4-{4-[methyl-(2-methyl-propane-1-sulfonyl)-amino]-butyl}-piperazin-1-yl)-phenyl]-acetamide
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CID 10254142
N-(3-{4-[4-(propane-2-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
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CID 10343002
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10343434
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-isobutyramide
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N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-butyramide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide (CID 10457710) is N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)CC4CCCCC4)CC3)CC2)c1.
What is the InChIKey of N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is KSDUDINTMMXLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3S/c1-21(30)26-24-8-5-9-25(18-24)28-16-14-27(15-17-28)19-22-10-12-29(13-11-22)33(31,32)20-23-6-3-2-4-7-23/h5,8-9,18,22-23H,2-4,6-7,10-17,19-20H2,1H3,(H,26,30).
What are the key properties of N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 476.69 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 10457710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).