N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

C22H37Cl2N3O2 — CID 119862948

IUPACN-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C22H35N3O2.2ClH/c1-21(2,3)17-5-7-19(8-6-17)25-15-9-18(10-16-25)24-20(26)22(27-4)11-13-23-14-12-22;;/h5-8,18,23H,9-16H2,1-4H3,(H,24,26);2*1H
InChIKeyJZAOOXVAOGYFFJ-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.68
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119862948) has the molecular formula C22H37Cl2N3O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119862948
Molecular FormulaC22H37Cl2N3O2
Molecular Weight446.46 g/mol
Exact Mass445.23
IUPAC NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C22H35N3O2.2ClH/c1-21(2,3)17-5-7-19(8-6-17)25-15-9-18(10-16-25)24-20(26)22(27-4)11-13-23-14-12-22;;/h5-8,18,23H,9-16H2,1-4H3,(H,24,26);2*1H
InChIKeyJZAOOXVAOGYFFJ-UHFFFAOYSA-N
XLogP3.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119899376
N-(4-hydroxycyclohexyl)-4-methoxypiperidine-4-carboxamide
CID 114284541
N-cyclohexyl-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670039
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119884408
2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride
CID 119862908
4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119844595
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862946
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-hydroxy-2-methylpropanamide
CID 99834501
N-(1,2-dimethylpiperidin-4-yl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119886301
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119862926
4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
CID 119870712
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119897156

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119862948) is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is JZAOOXVAOGYFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.2ClH/c1-21(2,3)17-5-7-19(8-6-17)25-15-9-18(10-16-25)24-20(26)22(27-4)11-13-23-14-12-22;;/h5-8,18,23H,9-16H2,1-4H3,(H,24,26);2*1H.
What are the key properties of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 446.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119862948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).