N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide

C24H25Cl2N3O3 — CID 68583175

IUPACN-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide
SMILESO=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C24H25Cl2N3O3/c25-20-7-6-19(13-21(20)26)32-18-9-11-29(12-10-18)15-17(30)14-27-24(31)23-8-5-16-3-1-2-4-22(16)28-23/h1-8,13,17-18,30H,9-12,14-15H2,(H,27,31)/t17-/m1/s1
InChIKeyCAATWOUCYJQEDB-QGZVFWFLSA-N
MW474.39 g/mol
LogP4.18
Rot. Bonds7

About N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide

N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide (PubChem CID 68583175) has the molecular formula C24H25Cl2N3O3 and a molecular weight of 474.39 g/mol. Its IUPAC name is N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide
PubChem CID68583175
Molecular FormulaC24H25Cl2N3O3
Molecular Weight474.39 g/mol
Exact Mass473.13
IUPAC NameN-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide
SMILESO=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C24H25Cl2N3O3/c25-20-7-6-19(13-21(20)26)32-18-9-11-29(12-10-18)15-17(30)14-27-24(31)23-8-5-16-3-1-2-4-22(16)28-23/h1-8,13,17-18,30H,9-12,14-15H2,(H,27,31)/t17-/m1/s1
InChIKeyCAATWOUCYJQEDB-QGZVFWFLSA-N
XLogP4.18
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-2-oxo-1H-quinoline-4-carboxamide
CID 59295994
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91598878
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-3-(dimethylamino)benzamide
CID 68580411
5-cyclopropyl-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-pyrazole-4-carboxamide
CID 71459762
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-2-oxo-4-(trifluoromethyl)-3H-1,3-oxazole-5-carboxamide
CID 11329480
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 91510380
6-chloro-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 86611245
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
(E)-3-amino-N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-2-methanimidoylprop-2-enamide
CID 142274557
N-[(2S)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 68580273
2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide
CID 22241244
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 68580116

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide?
The IUPAC name of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide (CID 68583175) is N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide is O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide?
The InChIKey is CAATWOUCYJQEDB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3/c25-20-7-6-19(13-21(20)26)32-18-9-11-29(12-10-18)15-17(30)14-27-24(31)23-8-5-16-3-1-2-4-22(16)28-23/h1-8,13,17-18,30H,9-12,14-15H2,(H,27,31)/t17-/m1/s1.
What are the key properties of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide?
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide has a molecular weight of 474.39 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]quinoline-2-carboxamide is sourced from PubChem (CID 68583175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).