2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride

C25H34ClN4O3S- — CID 53351236

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride
SMILESO=C(CNC1CCN(Cc2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C25H34N4O3S.ClH/c30-25(19-26-22-13-17-28(18-14-22)20-21-7-3-1-4-8-21)27-23-9-11-24(12-10-23)33(31,32)29-15-5-2-6-16-29;/h1,3-4,7-12,22,26H,2,5-6,13-20H2,(H,27,30);1H/p-1
InChIKeyJYARCMNFSVDMFQ-UHFFFAOYSA-M
MW506.09 g/mol
LogP0.06
Rot. Bonds8

About 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride

2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride (PubChem CID 53351236) has the molecular formula C25H34ClN4O3S- and a molecular weight of 506.09 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride
PubChem CID53351236
Molecular FormulaC25H34ClN4O3S-
Molecular Weight506.09 g/mol
Exact Mass505.20
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride
SMILESO=C(CNC1CCN(Cc2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C25H34N4O3S.ClH/c30-25(19-26-22-13-17-28(18-14-22)20-21-7-3-1-4-8-21)27-23-9-11-24(12-10-23)33(31,32)29-15-5-2-6-16-29;/h1,3-4,7-12,22,26H,2,5-6,13-20H2,(H,27,30);1H/p-1
InChIKeyJYARCMNFSVDMFQ-UHFFFAOYSA-M
XLogP0.06
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.09
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 43816897
2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3229482
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
benzyl-methyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 8901136
N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112507310
1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43922106
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55499906
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[benzyl(ethyl)amino]acetamide
CID 8563826
2-[benzyl(ethyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8541265

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride (CID 53351236) is 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride is O=C(CNC1CCN(Cc2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.[Cl-].
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride?
The InChIKey is JYARCMNFSVDMFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H34N4O3S.ClH/c30-25(19-26-22-13-17-28(18-14-22)20-21-7-3-1-4-8-21)27-23-9-11-24(12-10-23)33(31,32)29-15-5-2-6-16-29;/h1,3-4,7-12,22,26H,2,5-6,13-20H2,(H,27,30);1H/p-1.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride?
2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride has a molecular weight of 506.09 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride is sourced from PubChem (CID 53351236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).