(2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide

C16H24N2O2 — CID 99820281

IUPAC(2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCC1(C)CCNCC1
InChIInChI=1S/C16H24N2O2/c1-13(20-14-6-4-3-5-7-14)15(19)18-12-16(2)8-10-17-11-9-16/h3-7,13,17H,8-12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyVLDDIUHDQOJHCQ-ZDUSSCGKSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds5

About (2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide

(2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide (PubChem CID 99820281) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide
PubChem CID99820281
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCC1(C)CCNCC1
InChIInChI=1S/C16H24N2O2/c1-13(20-14-6-4-3-5-7-14)15(19)18-12-16(2)8-10-17-11-9-16/h3-7,13,17H,8-12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyVLDDIUHDQOJHCQ-ZDUSSCGKSA-N
XLogP1.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-phenoxypropanamide
CID 4282518
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenoxypropanamide
CID 71803556
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-phenoxypropanamide
CID 107301902
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide (CID 99820281) is (2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)NCC1(C)CCNCC1.
What is the InChIKey of (2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide?
The InChIKey is VLDDIUHDQOJHCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(20-14-6-4-3-5-7-14)15(19)18-12-16(2)8-10-17-11-9-16/h3-7,13,17H,8-12H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide?
(2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methylpiperidin-4-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 99820281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).