N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide

C20H32N2O3 — CID 95186738

IUPACN-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
SMILESCOCCOCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H32N2O3/c1-24-13-14-25-12-6-10-20(23)21-15-19-9-5-11-22(17-19)16-18-7-3-2-4-8-18/h2-4,7-8,19H,5-6,9-17H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyBXPCPZWSZVOSND-LJQANCHMSA-N
MW348.49 g/mol
LogP2.46
Rot. Bonds11

About N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide (PubChem CID 95186738) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide.

Molecular Properties

Compound NameN-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
PubChem CID95186738
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
SMILESCOCCOCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H32N2O3/c1-24-13-14-25-12-6-10-20(23)21-15-19-9-5-11-22(17-19)16-18-7-3-2-4-8-18/h2-4,7-8,19H,5-6,9-17H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyBXPCPZWSZVOSND-LJQANCHMSA-N
XLogP2.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
(3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 95284860
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125171754
3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45208830
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809339
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809340

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide?
The IUPAC name of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide (CID 95186738) is N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide.
What is the SMILES notation for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide?
The canonical SMILES for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide is COCCOCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide?
The InChIKey is BXPCPZWSZVOSND-LJQANCHMSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-24-13-14-25-12-6-10-20(23)21-15-19-9-5-11-22(17-19)16-18-7-3-2-4-8-18/h2-4,7-8,19H,5-6,9-17H2,1H3,(H,21,23)/t19-/m1/s1.
What are the key properties of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide?
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide has a molecular weight of 348.49 g/mol, XLogP of 2.46, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide is sourced from PubChem (CID 95186738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).