N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C17H22ClN3O2 — CID 111508554

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CCCC(CO)C1
InChIInChI=1S/C17H22ClN3O2/c18-14-3-4-16-15(8-14)13(9-20-16)5-6-19-17(23)21-7-1-2-12(10-21)11-22/h3-4,8-9,12,20,22H,1-2,5-7,10-11H2,(H,19,23)
InChIKeyWYUXRHDCGKVVPT-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111508554) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111508554
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CCCC(CO)C1
InChIInChI=1S/C17H22ClN3O2/c18-14-3-4-16-15(8-14)13(9-20-16)5-6-19-17(23)21-7-1-2-12(10-21)11-22/h3-4,8-9,12,20,22H,1-2,5-7,10-11H2,(H,19,23)
InChIKeyWYUXRHDCGKVVPT-UHFFFAOYSA-N
XLogP2.78
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide
CID 66831985
1-(3-benzylpiperidin-1-yl)-4-(5-chloro-1H-indol-3-yl)butan-1-one
CID 18330255
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-methoxyethyl)-3-oxo-1,4-diazepane-1-carboxamide
CID 119044397
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 66832116
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119706636
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 119706622
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide
CID 67974683
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019
3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 84597590

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 111508554) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CCCC(CO)C1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is WYUXRHDCGKVVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c18-14-3-4-16-15(8-14)13(9-20-16)5-6-19-17(23)21-7-1-2-12(10-21)11-22/h3-4,8-9,12,20,22H,1-2,5-7,10-11H2,(H,19,23).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 335.83 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111508554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).