N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide

C20H31ClN4O2+2 — CID 7334246

IUPACN-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide
SMILESO=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)C[NH+]2CCCCC2)c(Cl)c1
InChIInChI=1S/C20H29ClN4O2/c21-17-13-16(22-19(26)14-24-9-3-1-4-10-24)7-8-18(17)23-20(27)15-25-11-5-2-6-12-25/h7-8,13H,1-6,9-12,14-15H2,(H,22,26)(H,23,27)/p+2
InChIKeyPDPUOFINGQMZFJ-UHFFFAOYSA-P
MW394.95 g/mol
LogP0.35
Rot. Bonds6

About N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide

N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide (PubChem CID 7334246) has the molecular formula C20H31ClN4O2+2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide
PubChem CID7334246
Molecular FormulaC20H31ClN4O2+2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC NameN-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide
SMILESO=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)C[NH+]2CCCCC2)c(Cl)c1
InChIInChI=1S/C20H29ClN4O2/c21-17-13-16(22-19(26)14-24-9-3-1-4-10-24)7-8-18(17)23-20(27)15-25-11-5-2-6-12-25/h7-8,13H,1-6,9-12,14-15H2,(H,22,26)(H,23,27)/p+2
InChIKeyPDPUOFINGQMZFJ-UHFFFAOYSA-P
XLogP0.35
TPSA67.08 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide with MolForge

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Related Compounds

2-(azocan-1-ium-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 8583722
2-pyrrolidin-1-ium-1-yl-N-(2,4,5-trichlorophenyl)acetamide
CID 8901846
2-(azocan-1-ium-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 2655283
2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 7810608
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide
CID 6934505
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 9130973
2-(azepan-1-ium-1-yl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 2461345
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)acetamide
CID 9434244
(3R)-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305299
(3S)-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305296
N-(2-chloro-3-pyridinyl)-2-piperidin-1-ium-1-ylacetamide
CID 7784525

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide (CID 7334246) is N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide is O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)C[NH+]2CCCCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is PDPUOFINGQMZFJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H29ClN4O2/c21-17-13-16(22-19(26)14-24-9-3-1-4-10-24)7-8-18(17)23-20(27)15-25-11-5-2-6-12-25/h7-8,13H,1-6,9-12,14-15H2,(H,22,26)(H,23,27)/p+2.
What are the key properties of N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide?
N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 394.95 g/mol, XLogP of 0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 7334246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).