acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide

C21H27N3O5 — CID 163341520

IUPACacetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide
SMILESCC(=O)O.COc1ccccc1Oc1ccc(NC(=O)C2CCCN(C)C2)cn1
InChIInChI=1S/C19H23N3O3.C2H4O2/c1-22-11-5-6-14(13-22)19(23)21-15-9-10-18(20-12-15)25-17-8-4-3-7-16(17)24-2;1-2(3)4/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,21,23);1H3,(H,3,4)
InChIKeyBVMIGWBFXJSNLV-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.25
Rot. Bonds5

About acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide

acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide (PubChem CID 163341520) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Nameacetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide
PubChem CID163341520
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Nameacetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide
SMILESCC(=O)O.COc1ccccc1Oc1ccc(NC(=O)C2CCCN(C)C2)cn1
InChIInChI=1S/C19H23N3O3.C2H4O2/c1-22-11-5-6-14(13-22)19(23)21-15-9-10-18(20-12-15)25-17-8-4-3-7-16(17)24-2;1-2(3)4/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,21,23);1H3,(H,3,4)
InChIKeyBVMIGWBFXJSNLV-UHFFFAOYSA-N
XLogP3.25
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1-propanoylpiperidine-3-carboxamide
CID 55872419
(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 34970341
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide
CID 95158166
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-1-methylpiperidine-3-carboxamide
CID 131939950
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
(3R)-N-[4-(2-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047726
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
CID 55743472
(3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 97000078
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide (CID 163341520) is acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide is CC(=O)O.COc1ccccc1Oc1ccc(NC(=O)C2CCCN(C)C2)cn1.
What is the InChIKey of acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is BVMIGWBFXJSNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.C2H4O2/c1-22-11-5-6-14(13-22)19(23)21-15-9-10-18(20-12-15)25-17-8-4-3-7-16(17)24-2;1-2(3)4/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,21,23);1H3,(H,3,4).
What are the key properties of acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide?
acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 163341520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).