3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one

C15H22N2O3 — CID 62094325

IUPAC3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one
SMILESO=C1NCCCC1NCC(O)COCc1ccccc1
InChIInChI=1S/C15H22N2O3/c18-13(9-17-14-7-4-8-16-15(14)19)11-20-10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17-18H,4,7-11H2,(H,16,19)
InChIKeyLAGNLRDTPFCDKS-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.43
Rot. Bonds7

About 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one

3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one (PubChem CID 62094325) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one
PubChem CID62094325
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one
SMILESO=C1NCCCC1NCC(O)COCc1ccccc1
InChIInChI=1S/C15H22N2O3/c18-13(9-17-14-7-4-8-16-15(14)19)11-20-10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17-18H,4,7-11H2,(H,16,19)
InChIKeyLAGNLRDTPFCDKS-UHFFFAOYSA-N
XLogP0.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
CID 62093953
3-(2-phenylethylamino)piperidin-2-one
CID 62093018
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
3-(phenylmethoxymethyl)piperidin-2-one
CID 102941255
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 60901722
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]piperidin-2-one
CID 62092504
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
3-(2-phenylethylamino)azepan-2-one
CID 43199237
1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol
CID 64742870
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 61462412

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one?
The IUPAC name of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one (CID 62094325) is 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one?
The canonical SMILES for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one is O=C1NCCCC1NCC(O)COCc1ccccc1.
What is the InChIKey of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one?
The InChIKey is LAGNLRDTPFCDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-13(9-17-14-7-4-8-16-15(14)19)11-20-10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17-18H,4,7-11H2,(H,16,19).
What are the key properties of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one?
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-2-one is sourced from PubChem (CID 62094325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).