(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one

C18H25FN2O2 — CID 42096017

IUPAC(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCc1ccc(CNC[C@]2(O)CCCN(CC3CC3)C2=O)cc1F
InChIInChI=1S/C18H25FN2O2/c1-13-3-4-15(9-16(13)19)10-20-12-18(23)7-2-8-21(17(18)22)11-14-5-6-14/h3-4,9,14,20,23H,2,5-8,10-12H2,1H3/t18-/m1/s1
InChIKeyJNZDWAKIKPRBHM-GOSISDBHSA-N
MW320.41 g/mol
LogP1.99
Rot. Bonds6

About (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one

(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one (PubChem CID 42096017) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
PubChem CID42096017
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCc1ccc(CNC[C@]2(O)CCCN(CC3CC3)C2=O)cc1F
InChIInChI=1S/C18H25FN2O2/c1-13-3-4-15(9-16(13)19)10-20-12-18(23)7-2-8-21(17(18)22)11-14-5-6-14/h3-4,9,14,20,23H,2,5-8,10-12H2,1H3/t18-/m1/s1
InChIKeyJNZDWAKIKPRBHM-GOSISDBHSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one (CID 42096017) is (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one is Cc1ccc(CNC[C@]2(O)CCCN(CC3CC3)C2=O)cc1F.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
The InChIKey is JNZDWAKIKPRBHM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13-3-4-15(9-16(13)19)10-20-12-18(23)7-2-8-21(17(18)22)11-14-5-6-14/h3-4,9,14,20,23H,2,5-8,10-12H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one?
(3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one has a molecular weight of 320.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 42096017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).