N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide

C16H24N2O2 — CID 120554516

IUPACN-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
SMILESCC1CNCCC1NC(=O)CCOCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13-11-17-9-7-15(13)18-16(19)8-10-20-12-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3,(H,18,19)
InChIKeyCJUWFXBDQJEOPS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds6

About N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide

N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide (PubChem CID 120554516) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
PubChem CID120554516
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
SMILESCC1CNCCC1NC(=O)CCOCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13-11-17-9-7-15(13)18-16(19)8-10-20-12-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3,(H,18,19)
InChIKeyCJUWFXBDQJEOPS-UHFFFAOYSA-N
XLogP1.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 120555490
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120556122
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554616

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide (CID 120554516) is N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide is CC1CNCCC1NC(=O)CCOCc1ccccc1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide?
The InChIKey is CJUWFXBDQJEOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-11-17-9-7-15(13)18-16(19)8-10-20-12-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3,(H,18,19).
What are the key properties of N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide?
N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide is sourced from PubChem (CID 120554516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).