N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide

C23H36N4O5S — CID 55427135

IUPACN-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H36N4O5S/c1-32-17-5-10-24-22(28)19-25-13-15-26(16-14-25)23(29)18-20-6-8-21(9-7-20)33(30,31)27-11-3-2-4-12-27/h6-9H,2-5,10-19H2,1H3,(H,24,28)
InChIKeyIZRPVGBGZIOBOS-UHFFFAOYSA-N
MW480.63 g/mol
LogP0.70
Rot. Bonds10

About N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide (PubChem CID 55427135) has the molecular formula C23H36N4O5S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide
PubChem CID55427135
Molecular FormulaC23H36N4O5S
Molecular Weight480.63 g/mol
Exact Mass480.24
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H36N4O5S/c1-32-17-5-10-24-22(28)19-25-13-15-26(16-14-25)23(29)18-20-6-8-21(9-7-20)33(30,31)27-11-3-2-4-12-27/h6-9H,2-5,10-19H2,1H3,(H,24,28)
InChIKeyIZRPVGBGZIOBOS-UHFFFAOYSA-N
XLogP0.70
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide
CID 55633380
N-(3-methoxypropyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126490
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
N-butyl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 18163217
1-[4-(azepan-1-ylsulfonyl)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55954196
N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24542872
4-methoxy-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]butanoic acid
CID 120702439
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
2-[4-[(E)-3-[4-(methanesulfonamido)phenyl]prop-2-enoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55546303
N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064294
4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]butanoic acid
CID 119352613

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide (CID 55427135) is N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is IZRPVGBGZIOBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O5S/c1-32-17-5-10-24-22(28)19-25-13-15-26(16-14-25)23(29)18-20-6-8-21(9-7-20)33(30,31)27-11-3-2-4-12-27/h6-9H,2-5,10-19H2,1H3,(H,24,28).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 480.63 g/mol, XLogP of 0.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55427135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).