1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid

C21H28N2O5 — CID 119176074

IUPAC1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C21H28N2O5/c24-19(11-15-28-17-6-2-1-3-7-17)22-13-9-16(10-14-22)20(25)23-12-5-4-8-18(23)21(26)27/h1-3,6-7,16,18H,4-5,8-15H2,(H,26,27)
InChIKeyCRZKBNQGHFSVPL-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.16
Rot. Bonds6

About 1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid

1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid (PubChem CID 119176074) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
PubChem CID119176074
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C21H28N2O5/c24-19(11-15-28-17-6-2-1-3-7-17)22-13-9-16(10-14-22)20(25)23-12-5-4-8-18(23)21(26)27/h1-3,6-7,16,18H,4-5,8-15H2,(H,26,27)
InChIKeyCRZKBNQGHFSVPL-UHFFFAOYSA-N
XLogP2.16
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371132
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
3-phenoxy-1-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 56543111
(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035326
1-[4-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55870785
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
(2S)-1-(3-pyridin-3-yloxypropanoyl)pyrrolidine-2-carboxylic acid
CID 110837105
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 113006333
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 56544295
1-[4-(4-benzyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 55856431
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid (CID 119176074) is 1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is CRZKBNQGHFSVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c24-19(11-15-28-17-6-2-1-3-7-17)22-13-9-16(10-14-22)20(25)23-12-5-4-8-18(23)21(26)27/h1-3,6-7,16,18H,4-5,8-15H2,(H,26,27).
What are the key properties of 1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid?
1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 388.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).