(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide

C15H21ClN2O2 — CID 42561318

IUPAC(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C15H21ClN2O2/c1-11(20-14-5-3-4-12(16)10-14)15(19)17-13-6-8-18(2)9-7-13/h3-5,10-11,13H,6-9H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyUVFLYUIEGJHINK-LLVKDONJSA-N
MW296.80 g/mol
LogP2.32
Rot. Bonds4

About (2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide

(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 42561318) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID42561318
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C15H21ClN2O2/c1-11(20-14-5-3-4-12(16)10-14)15(19)17-13-6-8-18(2)9-7-13/h3-5,10-11,13H,6-9H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyUVFLYUIEGJHINK-LLVKDONJSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712610
(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 27015562
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712606
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenoxy)propanamide
CID 62229825
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032691
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
CID 108553149
2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 91149656

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide (CID 42561318) is (2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide is C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CCN(C)CC1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is UVFLYUIEGJHINK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(20-14-5-3-4-12(16)10-14)15(19)17-13-6-8-18(2)9-7-13/h3-5,10-11,13H,6-9H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide?
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 296.80 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 42561318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).