N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide

C17H25N3O3 — CID 71840497

IUPACN-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C17H25N3O3/c1-3-16(21)18-11-13-6-5-9-20(12-13)17(22)19-14-7-4-8-15(10-14)23-2/h4,7-8,10,13H,3,5-6,9,11-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWFAHUVFCILFBPD-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.47
Rot. Bonds5

About N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide

N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840497) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840497
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C17H25N3O3/c1-3-16(21)18-11-13-6-5-9-20(12-13)17(22)19-14-7-4-8-15(10-14)23-2/h4,7-8,10,13H,3,5-6,9,11-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWFAHUVFCILFBPD-UHFFFAOYSA-N
XLogP2.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840480
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840473
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840485
(3S)-3-[(butanoylamino)methyl]-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 95273174
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide (CID 71840497) is N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide is CCC(=O)NCC1CCCN(C(=O)Nc2cccc(OC)c2)C1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is WFAHUVFCILFBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-16(21)18-11-13-6-5-9-20(12-13)17(22)19-14-7-4-8-15(10-14)23-2/h4,7-8,10,13H,3,5-6,9,11-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).