N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide

C21H34N2O4 — CID 119820817

IUPACN-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C21H34N2O4/c1-16(17-7-5-8-22-15-17)11-21(24)23(2)9-6-10-27-20-13-18(25-3)12-19(14-20)26-4/h12-14,16-17,22H,5-11,15H2,1-4H3
InChIKeyWTNSUDDMQSEQNB-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.96
Rot. Bonds10

About N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide

N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide (PubChem CID 119820817) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide
PubChem CID119820817
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC NameN-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C21H34N2O4/c1-16(17-7-5-8-22-15-17)11-21(24)23(2)9-6-10-27-20-13-18(25-3)12-19(14-20)26-4/h12-14,16-17,22H,5-11,15H2,1-4H3
InChIKeyWTNSUDDMQSEQNB-UHFFFAOYSA-N
XLogP2.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide with MolForge

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Related Compounds

N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731938
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
CID 119821444
N-(1-methoxypropan-2-yl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81043666
N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81043953
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119821443
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119820838
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119885836
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide (CID 119820817) is N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide is COc1cc(OC)cc(OCCCN(C)C(=O)CC(C)C2CCCNC2)c1.
What is the InChIKey of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide?
The InChIKey is WTNSUDDMQSEQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-16(17-7-5-8-22-15-17)11-21(24)23(2)9-6-10-27-20-13-18(25-3)12-19(14-20)26-4/h12-14,16-17,22H,5-11,15H2,1-4H3.
What are the key properties of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide?
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide has a molecular weight of 378.51 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119820817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).