N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide

C18H28N2O2 — CID 47035903

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCCN1CCCCC1C
InChIInChI=1S/C18H28N2O2/c1-15-8-6-7-12-20(15)13-11-19-18(21)16(2)22-14-17-9-4-3-5-10-17/h3-5,9-10,15-16H,6-8,11-14H2,1-2H3,(H,19,21)
InChIKeyKPAKPWYYPHUTTD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.58
Rot. Bonds7

About N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide (PubChem CID 47035903) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide
PubChem CID47035903
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCCN1CCCCC1C
InChIInChI=1S/C18H28N2O2/c1-15-8-6-7-12-20(15)13-11-19-18(21)16(2)22-14-17-9-4-3-5-10-17/h3-5,9-10,15-16H,6-8,11-14H2,1-2H3,(H,19,21)
InChIKeyKPAKPWYYPHUTTD-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 119850923
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide
CID 94174701
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-phenylmethoxypropanamide
CID 47028899
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide
CID 98774084
(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
CID 94194356
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
CID 86853824
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylmethoxypropanamide
CID 55657806
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 92886794

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide (CID 47035903) is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)NCCN1CCCCC1C.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide?
The InChIKey is KPAKPWYYPHUTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15-8-6-7-12-20(15)13-11-19-18(21)16(2)22-14-17-9-4-3-5-10-17/h3-5,9-10,15-16H,6-8,11-14H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide has a molecular weight of 304.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 47035903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).