3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid

C18H23NO3 — CID 124701646

IUPAC3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C18H23NO3/c20-16(21)9-8-14-5-4-12-19(13-14)17(22)18(10-11-18)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,20,21)/t14-/m1/s1
InChIKeyVANNBXDSYOEEFS-CQSZACIVSA-N
MW301.39 g/mol
LogP2.82
Rot. Bonds5

About 3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid

3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid (PubChem CID 124701646) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
PubChem CID124701646
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C18H23NO3/c20-16(21)9-8-14-5-4-12-19(13-14)17(22)18(10-11-18)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,20,21)/t14-/m1/s1
InChIKeyVANNBXDSYOEEFS-CQSZACIVSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S)-1-[4-(3-chlorophenyl)oxane-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124700302
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid
CID 115448478
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 70748304
3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 25448695
3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 75483564
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid (CID 124701646) is 3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid is O=C(O)CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1.
What is the InChIKey of 3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is VANNBXDSYOEEFS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO3/c20-16(21)9-8-14-5-4-12-19(13-14)17(22)18(10-11-18)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,20,21)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid?
3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 301.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124701646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).