N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

C19H29N3O3S — CID 46349269

IUPACN-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H29N3O3S/c1-2-20-19(23)16-9-10-17(21-11-5-3-6-12-21)18(15-16)26(24,25)22-13-7-4-8-14-22/h9-10,15H,2-8,11-14H2,1H3,(H,20,23)
InChIKeyKLVIGQIVMFEVRZ-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.60
Rot. Bonds5

About N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 46349269) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID46349269
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESCCNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H29N3O3S/c1-2-20-19(23)16-9-10-17(21-11-5-3-6-12-21)18(15-16)26(24,25)22-13-7-4-8-14-22/h9-10,15H,2-8,11-14H2,1H3,(H,20,23)
InChIKeyKLVIGQIVMFEVRZ-UHFFFAOYSA-N
XLogP2.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55879251
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
N-(3-phenylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349231
N-(3-ethylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349254
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55463254
azepan-1-yl-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 24531727
N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27873551
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
N-(3-acetylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 34832529
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
CID 38819154
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55451008

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (CID 46349269) is N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is CCNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is KLVIGQIVMFEVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-2-20-19(23)16-9-10-17(21-11-5-3-6-12-21)18(15-16)26(24,25)22-13-7-4-8-14-22/h9-10,15H,2-8,11-14H2,1H3,(H,20,23).
What are the key properties of N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 379.53 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46349269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).