N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C20H35Cl2N3O2 — CID 119885836

IUPACN-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1cccc(OCCCN(C)C)c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H33N3O2.2ClH/c1-16(17-7-5-10-21-15-17)13-20(24)22-18-8-4-9-19(14-18)25-12-6-11-23(2)3;;/h4,8-9,14,16-17,21H,5-7,10-13,15H2,1-3H3,(H,22,24);2*1H
InChIKeyUGNDSIYWQRYMTA-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.83
Rot. Bonds9

About N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119885836) has the molecular formula C20H35Cl2N3O2 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119885836
Molecular FormulaC20H35Cl2N3O2
Molecular Weight420.43 g/mol
Exact Mass419.21
IUPAC NameN-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1cccc(OCCCN(C)C)c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H33N3O2.2ClH/c1-16(17-7-5-10-21-15-17)13-20(24)22-18-8-4-9-19(14-18)25-12-6-11-23(2)3;;/h4,8-9,14,16-17,21H,5-7,10-13,15H2,1-3H3,(H,22,24);2*1H
InChIKeyUGNDSIYWQRYMTA-UHFFFAOYSA-N
XLogP3.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731938
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119885836) is N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)Nc1cccc(OCCCN(C)C)c1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is UGNDSIYWQRYMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.2ClH/c1-16(17-7-5-10-21-15-17)13-20(24)22-18-8-4-9-19(14-18)25-12-6-11-23(2)3;;/h4,8-9,14,16-17,21H,5-7,10-13,15H2,1-3H3,(H,22,24);2*1H.
What are the key properties of N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 420.43 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119885836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).