2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide

C18H28N2O2 — CID 119069555

IUPAC2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
SMILESCCOC(C)C(=O)NCC1(c2ccccc2)CCN(C)CC1
InChIInChI=1S/C18H28N2O2/c1-4-22-15(2)17(21)19-14-18(10-12-20(3)13-11-18)16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3,(H,19,21)
InChIKeyICONTINNEVZRFI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.19
Rot. Bonds6

About 2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide

2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide (PubChem CID 119069555) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
PubChem CID119069555
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
SMILESCCOC(C)C(=O)NCC1(c2ccccc2)CCN(C)CC1
InChIInChI=1S/C18H28N2O2/c1-4-22-15(2)17(21)19-14-18(10-12-20(3)13-11-18)16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3,(H,19,21)
InChIKeyICONTINNEVZRFI-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-phenylacetamide
CID 124756158
(2R)-2-methyl-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125176400
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873385
2-amino-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119276377
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 118790232
4-(1-hydroxyethyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438064
(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
CID 94615950
3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
2-ethoxy-N-[[(1R,4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)-1-phenylcycloheptyl]methyl]acetamide
CID 129453569

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide (CID 119069555) is 2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide is CCOC(C)C(=O)NCC1(c2ccccc2)CCN(C)CC1.
What is the InChIKey of 2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide?
The InChIKey is ICONTINNEVZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-22-15(2)17(21)19-14-18(10-12-20(3)13-11-18)16-8-6-5-7-9-16/h5-9,15H,4,10-14H2,1-3H3,(H,19,21).
What are the key properties of 2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide?
2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 119069555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).