N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid

C21H31N3O4 — CID 174891882

IUPACN-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid
SMILESCCC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1.O=CNN1CCCCC1
InChIInChI=1S/C15H19NO3.C6H12N2O/c1-2-14(17)11-3-5-13(6-4-11)16-9-7-12(8-10-16)15(18)19;9-6-7-8-4-2-1-3-5-8/h3-6,12H,2,7-10H2,1H3,(H,18,19);6H,1-5H2,(H,7,9)
InChIKeyDHHPLEFPHNLFAE-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.71
Rot. Bonds6

About N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid

N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid (PubChem CID 174891882) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound NameN-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid
PubChem CID174891882
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid
SMILESCCC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1.O=CNN1CCCCC1
InChIInChI=1S/C15H19NO3.C6H12N2O/c1-2-14(17)11-3-5-13(6-4-11)16-9-7-12(8-10-16)15(18)19;9-6-7-8-4-2-1-3-5-8/h3-6,12H,2,7-10H2,1H3,(H,18,19);6H,1-5H2,(H,7,9)
InChIKeyDHHPLEFPHNLFAE-UHFFFAOYSA-N
XLogP2.71
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.71
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

N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide
CID 178082896
1-(4-propanoylphenyl)piperidin-4-one
CID 83779934
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869
1-[4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]propan-1-one
CID 114065844
1-(4-aminophenyl)piperidine-4-carboxylic acid;N,N-dimethylformamide;dihydrochloride
CID 174558359
1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one
CID 114065871
4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide
CID 174597039
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 3681785
ethane;2-oxo-2-(4-pyrrolidin-1-ylphenyl)acetic acid
CID 144811360
1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride
CID 21114970
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid?
The IUPAC name of N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid (CID 174891882) is N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid is CCC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1.O=CNN1CCCCC1.
What is the InChIKey of N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid?
The InChIKey is DHHPLEFPHNLFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3.C6H12N2O/c1-2-14(17)11-3-5-13(6-4-11)16-9-7-12(8-10-16)15(18)19;9-6-7-8-4-2-1-3-5-8/h3-6,12H,2,7-10H2,1H3,(H,18,19);6H,1-5H2,(H,7,9).
What are the key properties of N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid?
N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid has a molecular weight of 389.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 174891882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).