1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid

C19H26N2O4 — CID 56887966

IUPAC1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
SMILESCN1CCCCC1C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C19H26N2O4/c1-20-12-6-5-9-16(20)17(22)21-13-10-19(11-14-21,18(23)24)25-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,23,24)
InChIKeyDJWNBYAKBLGQGN-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.00
Rot. Bonds4

About 1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid

1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid (PubChem CID 56887966) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
PubChem CID56887966
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
SMILESCN1CCCCC1C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C19H26N2O4/c1-20-12-6-5-9-16(20)17(22)21-13-10-19(11-14-21,18(23)24)25-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,23,24)
InChIKeyDJWNBYAKBLGQGN-UHFFFAOYSA-N
XLogP2.00
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 95880890
1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 56919118
[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97196456
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
1-[2-(methylamino)pyrimidine-5-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 70773035
phenyl 1-methylpyrrolidine-2-carboxylate
CID 57101862
4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 56885496
[(2S)-1-methylazepan-2-yl]-[(2R)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 124816871
1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-4-phenoxypiperidine-4-carboxylic acid
CID 56885721
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid (CID 56887966) is 1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid is CN1CCCCC1C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid?
The InChIKey is DJWNBYAKBLGQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-20-12-6-5-9-16(20)17(22)21-13-10-19(11-14-21,18(23)24)25-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3,(H,23,24).
What are the key properties of 1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid?
1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidine-2-carbonyl)-4-phenoxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56887966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).