N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

C20H33Cl2N3O2 — CID 119862926

IUPACN-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)C3CC(O)CN3)CC2)cc1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-20(2,3)14-4-6-16(7-5-14)23-10-8-15(9-11-23)22-19(25)18-12-17(24)13-21-18;;/h4-7,15,17-18,21,24H,8-13H2,1-3H3,(H,22,25);2*1H
InChIKeyXISIPWJCFUECCH-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.64
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119862926) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119862926
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)C3CC(O)CN3)CC2)cc1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-20(2,3)14-4-6-16(7-5-14)23-10-8-15(9-11-23)22-19(25)18-12-17(24)13-21-18;;/h4-7,15,17-18,21,24H,8-13H2,1-3H3,(H,22,25);2*1H
InChIKeyXISIPWJCFUECCH-UHFFFAOYSA-N
XLogP2.64
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-hydroxy-2-methylpropanamide
CID 99834501
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119899355
2-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-methylpropanamide;dihydrochloride
CID 119862908
(2R,4S)-4-hydroxy-N-[(3S)-1-(4-methylphenyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 125138833
4-hydroxy-N-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119834916
(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
(2R,4R)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701668
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862948
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862946
4-hydroxy-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 61212180
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119698538
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119953381

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119862926) is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is CC(C)(C)c1ccc(N2CCC(NC(=O)C3CC(O)CN3)CC2)cc1.Cl.Cl.
What is the InChIKey of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is XISIPWJCFUECCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c1-20(2,3)14-4-6-16(7-5-14)23-10-8-15(9-11-23)22-19(25)18-12-17(24)13-21-18;;/h4-7,15,17-18,21,24H,8-13H2,1-3H3,(H,22,25);2*1H.
What are the key properties of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 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-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119862926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).