N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide

C16H24N2O2 — CID 144880372

IUPACN-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide
SMILESCOC[C@@H](c1ccccc1)N(C=O)C1CCN(C)CC1
InChIInChI=1S/C16H24N2O2/c1-17-10-8-15(9-11-17)18(13-19)16(12-20-2)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t16-/m0/s1
InChIKeyROZWRWQHSRQRSW-INIZCTEOSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds6

About N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide

N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide (PubChem CID 144880372) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide
PubChem CID144880372
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide
SMILESCOC[C@@H](c1ccccc1)N(C=O)C1CCN(C)CC1
InChIInChI=1S/C16H24N2O2/c1-17-10-8-15(9-11-17)18(13-19)16(12-20-2)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t16-/m0/s1
InChIKeyROZWRWQHSRQRSW-INIZCTEOSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide (CID 144880372) is N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide is COC[C@@H](c1ccccc1)N(C=O)C1CCN(C)CC1.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide?
The InChIKey is ROZWRWQHSRQRSW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-10-8-15(9-11-17)18(13-19)16(12-20-2)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide?
N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide has a molecular weight of 276.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-phenylethyl]-N-(1-methylpiperidin-4-yl)formamide is sourced from PubChem (CID 144880372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).