N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

C19H26N4O4S — CID 18892264

IUPACN-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCCn2ccnc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N4O4S/c1-27-17-7-6-16(19(24)21-8-5-10-22-13-9-20-15-22)14-18(17)28(25,26)23-11-3-2-4-12-23/h6-7,9,13-15H,2-5,8,10-12H2,1H3,(H,21,24)
InChIKeyCVCMAPSHNAVMGA-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.89
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 18892264) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
PubChem CID18892264
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCCn2ccnc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N4O4S/c1-27-17-7-6-16(19(24)21-8-5-10-22-13-9-20-15-22)14-18(17)28(25,26)23-11-3-2-4-12-23/h6-7,9,13-15H,2-5,8,10-12H2,1H3,(H,21,24)
InChIKeyCVCMAPSHNAVMGA-UHFFFAOYSA-N
XLogP1.89
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.89
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

4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 30944265
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 78858270
N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892154
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55660270
N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55976917
4-methoxy-N-(7-methyloctyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 36618425
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18120867
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (CID 18892264) is N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)NCCCn2ccnc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CVCMAPSHNAVMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-27-17-7-6-16(19(24)21-8-5-10-22-13-9-20-15-22)14-18(17)28(25,26)23-11-3-2-4-12-23/h6-7,9,13-15H,2-5,8,10-12H2,1H3,(H,21,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 406.51 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18892264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).