N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide

C21H27N3O3 — CID 166751295

IUPACN-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide
SMILESCOCCCNc1ccc(NC(=O)C2CCCCN2)c2cccc(C=O)c12
InChIInChI=1S/C21H27N3O3/c1-27-13-5-12-22-18-10-9-17(16-7-4-6-15(14-25)20(16)18)24-21(26)19-8-2-3-11-23-19/h4,6-7,9-10,14,19,22-23H,2-3,5,8,11-13H2,1H3,(H,24,26)
InChIKeyOYKDNLHCRSKEAJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.18
Rot. Bonds8

About N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide

N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide (PubChem CID 166751295) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide
PubChem CID166751295
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide
SMILESCOCCCNc1ccc(NC(=O)C2CCCCN2)c2cccc(C=O)c12
InChIInChI=1S/C21H27N3O3/c1-27-13-5-12-22-18-10-9-17(16-7-4-6-15(14-25)20(16)18)24-21(26)19-8-2-3-11-23-19/h4,6-7,9-10,14,19,22-23H,2-3,5,8,11-13H2,1H3,(H,24,26)
InChIKeyOYKDNLHCRSKEAJ-UHFFFAOYSA-N
XLogP3.18
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]-1-(2-oxochromen-6-yl)sulfanylpiperidine-3-carboxamide
CID 166751161
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18071622
N-[3-bromo-2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64564041
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427
(2S)-N-(5-methoxypentyl)piperidine-2-carboxamide
CID 103809997
N-quinolin-5-ylpiperidine-2-carboxamide
CID 18072312
(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 113263992
N-(2,6-diethylphenyl)piperidine-2-carboxamide
CID 24706345
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914464
4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466

Frequently Asked Questions

What is the IUPAC name of N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide?
The IUPAC name of N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide (CID 166751295) is N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide is COCCCNc1ccc(NC(=O)C2CCCCN2)c2cccc(C=O)c12.
What is the InChIKey of N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide?
The InChIKey is OYKDNLHCRSKEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-27-13-5-12-22-18-10-9-17(16-7-4-6-15(14-25)20(16)18)24-21(26)19-8-2-3-11-23-19/h4,6-7,9-10,14,19,22-23H,2-3,5,8,11-13H2,1H3,(H,24,26).
What are the key properties of N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide?
N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-formyl-4-(3-methoxypropylamino)naphthalen-1-yl]piperidine-2-carboxamide is sourced from PubChem (CID 166751295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).