N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide

C33H44N4O4 — CID 43878316

IUPACN,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C33H44N4O4/c38-30(34-28-18-14-26(15-19-28)32(40)36-22-8-4-9-23-36)12-6-2-1-3-7-13-31(39)35-29-20-16-27(17-21-29)33(41)37-24-10-5-11-25-37/h14-21H,1-13,22-25H2,(H,34,38)(H,35,39)
InChIKeyCFGKDPDCAIZGCL-UHFFFAOYSA-N
MW560.74 g/mol
LogP6.25
Rot. Bonds12

About N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide

N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide (PubChem CID 43878316) has the molecular formula C33H44N4O4 and a molecular weight of 560.74 g/mol. Its IUPAC name is N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
PubChem CID43878316
Molecular FormulaC33H44N4O4
Molecular Weight560.74 g/mol
Exact Mass560.34
IUPAC NameN,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C33H44N4O4/c38-30(34-28-18-14-26(15-19-28)32(40)36-22-8-4-9-23-36)12-6-2-1-3-7-13-31(39)35-29-20-16-27(17-21-29)33(41)37-24-10-5-11-25-37/h14-21H,1-13,22-25H2,(H,34,38)(H,35,39)
InChIKeyCFGKDPDCAIZGCL-UHFFFAOYSA-N
XLogP6.25
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 56.25
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

4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119702385
3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 134034714
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]octanamide
CID 17196671
N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
CID 47063386
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54814730
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
N-[3-[4-(azepane-1-carbonyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47063381

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide?
The IUPAC name of N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide (CID 43878316) is N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide.
What is the SMILES notation for N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide?
The canonical SMILES for N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide is O=C(CCCCCCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide?
The InChIKey is CFGKDPDCAIZGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O4/c38-30(34-28-18-14-26(15-19-28)32(40)36-22-8-4-9-23-36)12-6-2-1-3-7-13-31(39)35-29-20-16-27(17-21-29)33(41)37-24-10-5-11-25-37/h14-21H,1-13,22-25H2,(H,34,38)(H,35,39).
What are the key properties of N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide?
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide has a molecular weight of 560.74 g/mol, XLogP of 6.25, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide is sourced from PubChem (CID 43878316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).