N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride

C23H28ClN3O2 — CID 154895653

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(OC2(C(=O)NCCc3c[nH]c4ccccc34)CCNCC2)cc1.Cl
InChIInChI=1S/C23H27N3O2.ClH/c1-17-6-8-19(9-7-17)28-23(11-14-24-15-12-23)22(27)25-13-10-18-16-26-21-5-3-2-4-20(18)21;/h2-9,16,24,26H,10-15H2,1H3,(H,25,27);1H
InChIKeyOZVOSLZLPDSHAY-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride

N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride (PubChem CID 154895653) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
PubChem CID154895653
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(OC2(C(=O)NCCc3c[nH]c4ccccc34)CCNCC2)cc1.Cl
InChIInChI=1S/C23H27N3O2.ClH/c1-17-6-8-19(9-7-17)28-23(11-14-24-15-12-23)22(27)25-13-10-18-16-26-21-5-3-2-4-20(18)21;/h2-9,16,24,26H,10-15H2,1H3,(H,25,27);1H
InChIKeyOZVOSLZLPDSHAY-UHFFFAOYSA-N
XLogP3.76
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119778849
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978264
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
CID 98783268
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108961978
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 172894557

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride (CID 154895653) is N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride is Cc1ccc(OC2(C(=O)NCCc3c[nH]c4ccccc34)CCNCC2)cc1.Cl.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride?
The InChIKey is OZVOSLZLPDSHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.ClH/c1-17-6-8-19(9-7-17)28-23(11-14-24-15-12-23)22(27)25-13-10-18-16-26-21-5-3-2-4-20(18)21;/h2-9,16,24,26H,10-15H2,1H3,(H,25,27);1H.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride?
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride has a molecular weight of 413.95 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 154895653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).