N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide

C34H46N4O4 — CID 17080136

IUPACN,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1ccccc1C(=O)N1CCCCC1)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C34H46N4O4/c39-31(35-29-19-11-9-17-27(29)33(41)37-23-13-5-14-24-37)21-7-3-1-2-4-8-22-32(40)36-30-20-12-10-18-28(30)34(42)38-25-15-6-16-26-38/h9-12,17-20H,1-8,13-16,21-26H2,(H,35,39)(H,36,40)
InChIKeyUEYZKWRRPFVDIM-UHFFFAOYSA-N
MW574.77 g/mol
LogP6.64
Rot. Bonds13

About N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide

N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide (PubChem CID 17080136) has the molecular formula C34H46N4O4 and a molecular weight of 574.77 g/mol. Its IUPAC name is N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
PubChem CID17080136
Molecular FormulaC34H46N4O4
Molecular Weight574.77 g/mol
Exact Mass574.35
IUPAC NameN,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1ccccc1C(=O)N1CCCCC1)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C34H46N4O4/c39-31(35-29-19-11-9-17-27(29)33(41)37-23-13-5-14-24-37)21-7-3-1-2-4-8-22-32(40)36-30-20-12-10-18-28(30)34(42)38-25-15-6-16-26-38/h9-12,17-20H,1-8,13-16,21-26H2,(H,35,39)(H,36,40)
InChIKeyUEYZKWRRPFVDIM-UHFFFAOYSA-N
XLogP6.64
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119684692
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]heptanamide
CID 54789040
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 1366453
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide?
The IUPAC name of N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide (CID 17080136) is N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide.
What is the SMILES notation for N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide?
The canonical SMILES for N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide is O=C(CCCCCCCCC(=O)Nc1ccccc1C(=O)N1CCCCC1)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide?
The InChIKey is UEYZKWRRPFVDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N4O4/c39-31(35-29-19-11-9-17-27(29)33(41)37-23-13-5-14-24-37)21-7-3-1-2-4-8-22-32(40)36-30-20-12-10-18-28(30)34(42)38-25-15-6-16-26-38/h9-12,17-20H,1-8,13-16,21-26H2,(H,35,39)(H,36,40).
What are the key properties of N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide?
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide has a molecular weight of 574.77 g/mol, XLogP of 6.64, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide is sourced from PubChem (CID 17080136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).