4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid

C16H23N3O5 — CID 22269204

IUPAC4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid
SMILESNC(=O)c1ccc(OCC(O)CNC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C16H23N3O5/c17-15(21)11-1-3-14(4-2-11)24-10-13(20)9-18-12-5-7-19(8-6-12)16(22)23/h1-4,12-13,18,20H,5-10H2,(H2,17,21)(H,22,23)
InChIKeyCSVIQHVMKIZHRN-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.26
Rot. Bonds7

About 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid

4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid (PubChem CID 22269204) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid
PubChem CID22269204
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid
SMILESNC(=O)c1ccc(OCC(O)CNC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C16H23N3O5/c17-15(21)11-1-3-14(4-2-11)24-10-13(20)9-18-12-5-7-19(8-6-12)16(22)23/h1-4,12-13,18,20H,5-10H2,(H2,17,21)(H,22,23)
InChIKeyCSVIQHVMKIZHRN-UHFFFAOYSA-N
XLogP0.26
TPSA125.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138958786
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
1-[4-[2-hydroxy-3-(oxan-4-ylamino)propoxy]phenyl]ethanone;hydrochloride
CID 122714551
4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid
CID 141360065
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 166238807
1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4969396
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid (CID 22269204) is 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid is NC(=O)c1ccc(OCC(O)CNC2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid?
The InChIKey is CSVIQHVMKIZHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c17-15(21)11-1-3-14(4-2-11)24-10-13(20)9-18-12-5-7-19(8-6-12)16(22)23/h1-4,12-13,18,20H,5-10H2,(H2,17,21)(H,22,23).
What are the key properties of 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid?
4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-carbamoylphenoxy)-2-hydroxypropyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 22269204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).