N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride

C17H29Cl2N3O2 — CID 119885790

IUPACN-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCN(C)CCCOc1cccc(NC(=O)C2CCCNC2)c1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-20(2)10-5-11-22-16-8-3-7-15(12-16)19-17(21)14-6-4-9-18-13-14;;/h3,7-8,12,14,18H,4-6,9-11,13H2,1-2H3,(H,19,21);2*1H
InChIKeyJYUZATUWWXBKKD-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.80
Rot. Bonds7

About N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride

N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119885790) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119885790
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC NameN-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCN(C)CCCOc1cccc(NC(=O)C2CCCNC2)c1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-20(2)10-5-11-22-16-8-3-7-15(12-16)19-17(21)14-6-4-9-18-13-14;;/h3,7-8,12,14,18H,4-6,9-11,13H2,1-2H3,(H,19,21);2*1H
InChIKeyJYUZATUWWXBKKD-UHFFFAOYSA-N
XLogP2.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.80
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-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306015
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119303125
N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119885836
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844260
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
CID 119263523

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride (CID 119885790) is N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride is CN(C)CCCOc1cccc(NC(=O)C2CCCNC2)c1.Cl.Cl.
What is the InChIKey of N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is JYUZATUWWXBKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-20(2)10-5-11-22-16-8-3-7-15(12-16)19-17(21)14-6-4-9-18-13-14;;/h3,7-8,12,14,18H,4-6,9-11,13H2,1-2H3,(H,19,21);2*1H.
What are the key properties of N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride?
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.80, 7 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]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119885790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).