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

C18H28N2O2 — CID 27211856

IUPAC(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2)CC1
InChIInChI=1S/C18H28N2O2/c1-4-11-20-12-9-16(10-13-20)19-18(21)15(3)22-17-7-5-14(2)6-8-17/h5-8,15-16H,4,9-13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyNDYBVOMGIVNHTA-HNNXBMFYSA-N
MW304.43 g/mol
LogP2.75
Rot. Bonds6

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

(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide (PubChem CID 27211856) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
PubChem CID27211856
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2)CC1
InChIInChI=1S/C18H28N2O2/c1-4-11-20-12-9-16(10-13-20)19-18(21)15(3)22-17-7-5-14(2)6-8-17/h5-8,15-16H,4,9-13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyNDYBVOMGIVNHTA-HNNXBMFYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27232531
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250210
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
(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
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712606

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide (CID 27211856) is (2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide is CCCN1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2)CC1.
What is the InChIKey of (2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
The InChIKey is NDYBVOMGIVNHTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-11-20-12-9-16(10-13-20)19-18(21)15(3)22-17-7-5-14(2)6-8-17/h5-8,15-16H,4,9-13H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide?
(2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide is sourced from PubChem (CID 27211856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).