N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C21H33N5O4S — CID 20630279

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CC1
InChIInChI=1S/C21H33N5O4S/c1-16(2)31(29,30)23-19-8-10-26(11-9-19)21(28)22-18-4-6-20(7-5-18)25-14-12-24(13-15-25)17(3)27/h4-7,16,19,23H,8-15H2,1-3H3,(H,22,28)
InChIKeyCOYSYUUKPWQLKT-UHFFFAOYSA-N
MW451.59 g/mol
LogP1.68
Rot. Bonds5

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20630279) has the molecular formula C21H33N5O4S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20630279
Molecular FormulaC21H33N5O4S
Molecular Weight451.59 g/mol
Exact Mass451.23
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CC1
InChIInChI=1S/C21H33N5O4S/c1-16(2)31(29,30)23-19-8-10-26(11-9-19)21(28)22-18-4-6-20(7-5-18)25-14-12-24(13-15-25)17(3)27/h4-7,16,19,23H,8-15H2,1-3H3,(H,22,28)
InChIKeyCOYSYUUKPWQLKT-UHFFFAOYSA-N
XLogP1.68
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630265
N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630393
4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
CID 20628957
N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628894
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628885
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630887
N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629890
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20630279) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(=O)N1CCN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is COYSYUUKPWQLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4S/c1-16(2)31(29,30)23-19-8-10-26(11-9-19)21(28)22-18-4-6-20(7-5-18)25-14-12-24(13-15-25)17(3)27/h4-7,16,19,23H,8-15H2,1-3H3,(H,22,28).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20630279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).