3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide

C18H24ClN3O2 — CID 111429528

IUPAC3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCCCN2CCC(O)CC2)c(Cl)c2ccccc21
InChIInChI=1S/C18H24ClN3O2/c1-21-15-6-3-2-5-14(15)16(19)17(21)18(24)20-9-4-10-22-11-7-13(23)8-12-22/h2-3,5-6,13,23H,4,7-12H2,1H3,(H,20,24)
InChIKeyBWUZNEPOWBBTDT-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.41
Rot. Bonds5

About 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide

3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide (PubChem CID 111429528) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
PubChem CID111429528
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCCCN2CCC(O)CC2)c(Cl)c2ccccc21
InChIInChI=1S/C18H24ClN3O2/c1-21-15-6-3-2-5-14(15)16(19)17(21)18(24)20-9-4-10-22-11-7-13(23)8-12-22/h2-3,5-6,13,23H,4,7-12H2,1H3,(H,20,24)
InChIKeyBWUZNEPOWBBTDT-UHFFFAOYSA-N
XLogP2.41
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide
CID 111429650
3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
CID 110900786
N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide
CID 86829245
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638
3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide
CID 109379709
1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5307091
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 111499093
3-chloro-N-(4-hydroxy-2-methylpentyl)-1-methylindole-2-carboxamide
CID 111447034
4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 110007287
(2R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methoxy-2-phenylacetamide
CID 110021427
2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 111433871
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111429668

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide (CID 111429528) is 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)NCCCN2CCC(O)CC2)c(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide?
The InChIKey is BWUZNEPOWBBTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-21-15-6-3-2-5-14(15)16(19)17(21)18(24)20-9-4-10-22-11-7-13(23)8-12-22/h2-3,5-6,13,23H,4,7-12H2,1H3,(H,20,24).
What are the key properties of 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide?
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 111429528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).