(3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone

C18H23ClN2O2 — CID 72886711

IUPAC(3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCCN1C(=O)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C18H23ClN2O2/c1-23-12-6-8-13-7-4-5-11-21(13)18(22)17-16(19)14-9-2-3-10-15(14)20-17/h2-3,9-10,13,20H,4-8,11-12H2,1H3
InChIKeyRJVRHQYELOVPIW-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.24
Rot. Bonds5

About (3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone

(3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 72886711) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is (3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID72886711
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name(3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCCN1C(=O)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C18H23ClN2O2/c1-23-12-6-8-13-7-4-5-11-21(13)18(22)17-16(19)14-9-2-3-10-15(14)20-17/h2-3,9-10,13,20H,4-8,11-12H2,1H3
InChIKeyRJVRHQYELOVPIW-UHFFFAOYSA-N
XLogP4.24
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[1-(3-chloro-1H-indole-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 72840028
[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70741469
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 71879951
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96577939
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70756992
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(3-chloro-1H-indol-2-yl)methanone
CID 94643496
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 131906931
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 126450375
2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone (CID 72886711) is (3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone is COCCCC1CCCCN1C(=O)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of (3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is RJVRHQYELOVPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-23-12-6-8-13-7-4-5-11-21(13)18(22)17-16(19)14-9-2-3-10-15(14)20-17/h2-3,9-10,13,20H,4-8,11-12H2,1H3.
What are the key properties of (3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone?
(3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 334.85 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 72886711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).