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

C23H25Cl2N3O3 — CID 59295939

IUPACN-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide
SMILESO=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H25Cl2N3O3/c24-20-6-5-17(11-21(20)25)31-16-7-9-28(10-8-16)14-15(29)12-27-23(30)19-13-26-22-4-2-1-3-18(19)22/h1-6,11,13,15-16,26,29H,7-10,12,14H2,(H,27,30)/t15-/m1/s1
InChIKeyDIXSEWSBXAEKKY-OAHLLOKOSA-N
MW462.38 g/mol
LogP4.11
Rot. Bonds7

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

N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide (PubChem CID 59295939) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide
PubChem CID59295939
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC NameN-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide
SMILESO=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H25Cl2N3O3/c24-20-6-5-17(11-21(20)25)31-16-7-9-28(10-8-16)14-15(29)12-27-23(30)19-13-26-22-4-2-1-3-18(19)22/h1-6,11,13,15-16,26,29H,7-10,12,14H2,(H,27,30)/t15-/m1/s1
InChIKeyDIXSEWSBXAEKKY-OAHLLOKOSA-N
XLogP4.11
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
8-{[3-(3-Chloro-phenoxy)-propyl]-propyl-amino}-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
CID 10432512
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 3936614
(6-chloro-1H-indol-3-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 15952129
5-[2-[2-(4-Chloro-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 123141715
5-[2-[2-[5-Chloro-2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 123854385
1-[3-(4-chlorophenoxy)propyl]-1H-indole-3-carbaldehyde
CID 2219737
{1-[2-(4-chlorophenoxy)ethyl]-1H-indol-3-yl}(cyclohexyl)methanone
CID 3463361
(6S)-1-[[4-(3,4-dichlorophenoxy)phenyl]methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 53248780
(6R)-1-[[4-(3,4-dichlorophenoxy)phenyl]methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 53304990
1H-indol-3-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71725025
3,4-dichloro-N-[(2S)-1-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenoxy]-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 73776613

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide (CID 59295939) is N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide is O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide?
The InChIKey is DIXSEWSBXAEKKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c24-20-6-5-17(11-21(20)25)31-16-7-9-28(10-8-16)14-15(29)12-27-23(30)19-13-26-22-4-2-1-3-18(19)22/h1-6,11,13,15-16,26,29H,7-10,12,14H2,(H,27,30)/t15-/m1/s1.
What are the key properties of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide?
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide has a molecular weight of 462.38 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 59295939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).