N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide

C21H31N3O3 — CID 174263043

IUPACN-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide
SMILESCc1c(C2CCCCN2)ccc(C=O)c1CN(C)C(C)CCC(=O)NC=O
InChIInChI=1S/C21H31N3O3/c1-15(7-10-21(27)23-14-26)24(3)12-19-16(2)18(9-8-17(19)13-25)20-6-4-5-11-22-20/h8-9,13-15,20,22H,4-7,10-12H2,1-3H3,(H,23,26,27)
InChIKeyXXIYUSFWTNBUJY-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.50
Rot. Bonds9

About N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide

N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide (PubChem CID 174263043) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide.

Molecular Properties

Compound NameN-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide
PubChem CID174263043
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide
SMILESCc1c(C2CCCCN2)ccc(C=O)c1CN(C)C(C)CCC(=O)NC=O
InChIInChI=1S/C21H31N3O3/c1-15(7-10-21(27)23-14-26)24(3)12-19-16(2)18(9-8-17(19)13-25)20-6-4-5-11-22-20/h8-9,13-15,20,22H,4-7,10-12H2,1-3H3,(H,23,26,27)
InChIKeyXXIYUSFWTNBUJY-UHFFFAOYSA-N
XLogP2.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117408174
N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide
CID 156883099
4-[[5-[2-[3-[5-(3-ethylphenoxy)pentoxy]propoxy]ethylamino]-2-formylphenyl]methyl-methylamino]-N-formylpentanamide
CID 164592602
4-[(4-bromo-8-formylnaphthalen-1-yl)-methylamino]-N-formylpentanamide
CID 167470285
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117371289
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
N'-[(E)-[1-cyano-7-cyclopentyl-8-ethyl-6-(2-methoxy-4-methylphenyl)imino-8H-imidazo[1,5-a]pyrazin-5-ylidene]methyl]methanimidamide;N-formyl-4-[[2-formyl-6-(methylamino)phenyl]methyl-methylamino]pentanamide;N-[2-[2-[2-[2-(3-oxopropylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide
CID 156883017
2-(4-bromo-2-fluoro-3-methylphenyl)piperidine
CID 117432838
1-(4-piperidin-2-ylphenyl)propan-2-ol
CID 117313125

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide?
The IUPAC name of N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide (CID 174263043) is N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide.
What is the SMILES notation for N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide?
The canonical SMILES for N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide is Cc1c(C2CCCCN2)ccc(C=O)c1CN(C)C(C)CCC(=O)NC=O.
What is the InChIKey of N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide?
The InChIKey is XXIYUSFWTNBUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(7-10-21(27)23-14-26)24(3)12-19-16(2)18(9-8-17(19)13-25)20-6-4-5-11-22-20/h8-9,13-15,20,22H,4-7,10-12H2,1-3H3,(H,23,26,27).
What are the key properties of N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide?
N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide has a molecular weight of 373.50 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide is sourced from PubChem (CID 174263043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).