4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide

C17H25N3O4 — CID 48643522

IUPAC4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2cccc(NC(=O)C(C)OC)c2)CC1
InChIInChI=1S/C17H25N3O4/c1-12(23-2)16(21)18-13-5-4-6-14(11-13)19-17(22)20-9-7-15(24-3)8-10-20/h4-6,11-12,15H,7-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyPLOXVFSZRZTNFX-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.30
Rot. Bonds5

About 4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide

4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide (PubChem CID 48643522) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide
PubChem CID48643522
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2cccc(NC(=O)C(C)OC)c2)CC1
InChIInChI=1S/C17H25N3O4/c1-12(23-2)16(21)18-13-5-4-6-14(11-13)19-17(22)20-9-7-15(24-3)8-10-20/h4-6,11-12,15H,7-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyPLOXVFSZRZTNFX-UHFFFAOYSA-N
XLogP2.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
4-methoxy-N-[3-(2-methyltetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118764405
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
(1-anilino-1-oxopropan-2-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320775
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
N-[3-(2-methoxypropanoylamino)phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 48643647
(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 95238632
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305159
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide (CID 48643522) is 4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide is COC1CCN(C(=O)Nc2cccc(NC(=O)C(C)OC)c2)CC1.
What is the InChIKey of 4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide?
The InChIKey is PLOXVFSZRZTNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12(23-2)16(21)18-13-5-4-6-14(11-13)19-17(22)20-9-7-15(24-3)8-10-20/h4-6,11-12,15H,7-10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide?
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 48643522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).