N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride

C23H38ClN3O3 — CID 90390248

IUPACN-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride
SMILESCCN(C)C(=O)N1CCC(Oc2ccc(OCCCN3CCCCC3)cc2)CC1.Cl
InChIInChI=1S/C23H37N3O3.ClH/c1-3-24(2)23(27)26-17-12-22(13-18-26)29-21-10-8-20(9-11-21)28-19-7-16-25-14-5-4-6-15-25;/h8-11,22H,3-7,12-19H2,1-2H3;1H
InChIKeyZHXPGCGQCQMOSB-UHFFFAOYSA-N
MW440.03 g/mol
LogP4.28
Rot. Bonds8

About N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride

N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride (PubChem CID 90390248) has the molecular formula C23H38ClN3O3 and a molecular weight of 440.03 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride
PubChem CID90390248
Molecular FormulaC23H38ClN3O3
Molecular Weight440.03 g/mol
Exact Mass439.26
IUPAC NameN-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride
SMILESCCN(C)C(=O)N1CCC(Oc2ccc(OCCCN3CCCCC3)cc2)CC1.Cl
InChIInChI=1S/C23H37N3O3.ClH/c1-3-24(2)23(27)26-17-12-22(13-18-26)29-21-10-8-20(9-11-21)28-19-7-16-25-14-5-4-6-15-25;/h8-11,22H,3-7,12-19H2,1-2H3;1H
InChIKeyZHXPGCGQCQMOSB-UHFFFAOYSA-N
XLogP4.28
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.03
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070712
ethyl 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenoxy]piperidine-1-carboxylate
CID 86298856
(E)-4-(dimethylamino)-1-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]sulfonylazetidin-1-yl]but-2-en-1-one
CID 175333081
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-1-ylpropoxy)naphthalen-2-yl]methanone
CID 69068726
N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
CID 46890597
1-[1-(3-phenoxypropyl)piperidin-4-yl]-6-piperidin-1-ylhexan-1-one
CID 57169720
N-butan-2-yl-4-(3-piperidin-1-ylpropoxy)benzamide;heptane
CID 143299998
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
CID 11857382
N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
CID 3079543
1-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]piperidine;oxalic acid
CID 2922263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride (CID 90390248) is N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride is CCN(C)C(=O)N1CCC(Oc2ccc(OCCCN3CCCCC3)cc2)CC1.Cl.
What is the InChIKey of N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride?
The InChIKey is ZHXPGCGQCQMOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3.ClH/c1-3-24(2)23(27)26-17-12-22(13-18-26)29-21-10-8-20(9-11-21)28-19-7-16-25-14-5-4-6-15-25;/h8-11,22H,3-7,12-19H2,1-2H3;1H.
What are the key properties of N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride?
N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride has a molecular weight of 440.03 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 90390248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).