(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide

C18H27ClN2O2 — CID 27232531

IUPAC(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1
InChIInChI=1S/C18H27ClN2O2/c1-4-9-21-10-7-15(8-11-21)20-18(22)14(3)23-17-12-13(2)5-6-16(17)19/h5-6,12,14-15H,4,7-11H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyFPLFNEIQJBNCNW-AWEZNQCLSA-N
MW338.88 g/mol
LogP3.41
Rot. Bonds6

About (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide

(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide (PubChem CID 27232531) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
PubChem CID27232531
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1
InChIInChI=1S/C18H27ClN2O2/c1-4-9-21-10-7-15(8-11-21)20-18(22)14(3)23-17-12-13(2)5-6-16(17)19/h5-6,12,14-15H,4,7-11H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyFPLFNEIQJBNCNW-AWEZNQCLSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27212161
2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250206
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27211856
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 55946356
2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
CID 146122600
2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250210
(2S)-2-(2-chloro-5-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 52515244
2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448453
N-[3,3-bis(hydroxymethyl)cyclobutyl]-2-(2-chloro-5-methylphenoxy)propanamide
CID 167827659
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650924

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide (CID 27232531) is (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide is CCCN1CCC(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1.
What is the InChIKey of (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The InChIKey is FPLFNEIQJBNCNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-4-9-21-10-7-15(8-11-21)20-18(22)14(3)23-17-12-13(2)5-6-16(17)19/h5-6,12,14-15H,4,7-11H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide has a molecular weight of 338.88 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide is sourced from PubChem (CID 27232531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).