N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide

C19H30N2O2 — CID 119821444

IUPACN-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)CCOCc1ccccc1)C1CCCNC1
InChIInChI=1S/C19H30N2O2/c1-16(18-9-6-10-20-14-18)13-19(22)21(2)11-12-23-15-17-7-4-3-5-8-17/h3-5,7-8,16,18,20H,6,9-15H2,1-2H3
InChIKeyGPKBVECYFSUSTN-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.69
Rot. Bonds8

About N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide

N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide (PubChem CID 119821444) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
PubChem CID119821444
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)CCOCc1ccccc1)C1CCCNC1
InChIInChI=1S/C19H30N2O2/c1-16(18-9-6-10-20-14-18)13-19(22)21(2)11-12-23-15-17-7-4-3-5-8-17/h3-5,7-8,16,18,20H,6,9-15H2,1-2H3
InChIKeyGPKBVECYFSUSTN-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119821443
N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731938
N-benzyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119681552
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-(2-methoxyethyl)-N-(3-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119756066
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119820817
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736663
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide (CID 119821444) is N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)N(C)CCOCc1ccccc1)C1CCCNC1.
What is the InChIKey of N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide?
The InChIKey is GPKBVECYFSUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16(18-9-6-10-20-14-18)13-19(22)21(2)11-12-23-15-17-7-4-3-5-8-17/h3-5,7-8,16,18,20H,6,9-15H2,1-2H3.
What are the key properties of N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide?
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119821444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).