(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid

C15H18ClNO4 — CID 129382420

IUPAC(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClNO4/c16-12-3-5-13(6-4-12)21-9-7-14(18)17-8-1-2-11(10-17)15(19)20/h3-6,11H,1-2,7-10H2,(H,19,20)/t11-/m1/s1
InChIKeyBYXKBQFJGSMMQL-LLVKDONJSA-N
MW311.76 g/mol
LogP2.43
Rot. Bonds5

About (3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid

(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid (PubChem CID 129382420) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is (3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
PubChem CID129382420
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClNO4/c16-12-3-5-13(6-4-12)21-9-7-14(18)17-8-1-2-11(10-17)15(19)20/h3-6,11H,1-2,7-10H2,(H,19,20)/t11-/m1/s1
InChIKeyBYXKBQFJGSMMQL-LLVKDONJSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167136
1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 43171031
(3S)-1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 81120736
(2S)-1-[3-(4-chlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92924493
1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576550
(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371132
cis-(1S,3R)-3-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674902
N-[(2,4-dichlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967139
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid (CID 129382420) is (3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is BYXKBQFJGSMMQL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-12-3-5-13(6-4-12)21-9-7-14(18)17-8-1-2-11(10-17)15(19)20/h3-6,11H,1-2,7-10H2,(H,19,20)/t11-/m1/s1.
What are the key properties of (3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129382420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).