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

C17H25ClN2O2 — CID 42562531

IUPAC(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(2)20-9-7-15(8-10-20)19-17(21)13(3)22-16-6-4-5-14(18)11-16/h4-6,11-13,15H,7-10H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyWIKXSEHVGKDITP-CYBMUJFWSA-N
MW324.85 g/mol
LogP3.10
Rot. Bonds5

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

(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 42562531) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID42562531
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(2)20-9-7-15(8-10-20)19-17(21)13(3)22-16-6-4-5-14(18)11-16/h4-6,11-13,15H,7-10H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyWIKXSEHVGKDITP-CYBMUJFWSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
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-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
2-(4-fluorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236761
3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032691
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
CID 108553149
(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 27015562
1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55904910
2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236767

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide (CID 42562531) is (2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide is CC(C)N1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is WIKXSEHVGKDITP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-12(2)20-9-7-15(8-10-20)19-17(21)13(3)22-16-6-4-5-14(18)11-16/h4-6,11-13,15H,7-10H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 324.85 g/mol, XLogP of 3.10, 5 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-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 42562531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).