3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid

C15H21N3O3 — CID 175725939

IUPAC3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
SMILESN/C(=N\[C@H]1CCCNC1)c1ccc(OCCC(=O)O)cc1
InChIInChI=1S/C15H21N3O3/c16-15(18-12-2-1-8-17-10-12)11-3-5-13(6-4-11)21-9-7-14(19)20/h3-6,12,17H,1-2,7-10H2,(H2,16,18)(H,19,20)/t12-/m0/s1
InChIKeyCSOCGNHVYLKJSL-LBPRGKRZSA-N
MW291.35 g/mol
LogP1.00
Rot. Bonds6

About 3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid

3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid (PubChem CID 175725939) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
PubChem CID175725939
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
SMILESN/C(=N\[C@H]1CCCNC1)c1ccc(OCCC(=O)O)cc1
InChIInChI=1S/C15H21N3O3/c16-15(18-12-2-1-8-17-10-12)11-3-5-13(6-4-11)21-9-7-14(19)20/h3-6,12,17H,1-2,7-10H2,(H2,16,18)(H,19,20)/t12-/m0/s1
InChIKeyCSOCGNHVYLKJSL-LBPRGKRZSA-N
XLogP1.00
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119461600
(4-hexoxyphenyl)-piperidin-3-ylmethanone
CID 82550171
4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide
CID 119471304
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765
4-[2-oxo-2-(piperidin-3-ylamino)ethoxy]benzamide
CID 119426792
(2S)-2-[(Z)-[1-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-[[(2R,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-3-[4-[N'-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
CID 164578825
4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119424890
2-(4-piperidin-3-ylphenoxy)acetamide
CID 117100144
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
N-ethyl-3-phenoxy-N-piperidin-3-ylpropanamide
CID 60807230
4-[(3R)-piperidin-3-yl]oxybenzamide
CID 42553466
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373

Frequently Asked Questions

What is the IUPAC name of 3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid?
The IUPAC name of 3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid (CID 175725939) is 3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid?
The canonical SMILES for 3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid is N/C(=N\[C@H]1CCCNC1)c1ccc(OCCC(=O)O)cc1.
What is the InChIKey of 3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid?
The InChIKey is CSOCGNHVYLKJSL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-15(18-12-2-1-8-17-10-12)11-3-5-13(6-4-11)21-9-7-14(19)20/h3-6,12,17H,1-2,7-10H2,(H2,16,18)(H,19,20)/t12-/m0/s1.
What are the key properties of 3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid?
3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[N'-[(3S)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid is sourced from PubChem (CID 175725939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).