[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone

C19H25N3O2 — CID 70752590

IUPAC[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C19H25N3O2/c23-18(16-4-5-17-15(12-16)6-8-20-17)22-11-3-7-19(24,14-22)13-21-9-1-2-10-21/h4-6,8,12,20,24H,1-3,7,9-11,13-14H2
InChIKeyPRMXDPAOGNUTHG-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.23
Rot. Bonds3

About [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone

[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 70752590) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID70752590
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCCC(O)(CN2CCCC2)C1
InChIInChI=1S/C19H25N3O2/c23-18(16-4-5-17-15(12-16)6-8-20-17)22-11-3-7-19(24,14-22)13-21-9-1-2-10-21/h4-6,8,12,20,24H,1-3,7,9-11,13-14H2
InChIKeyPRMXDPAOGNUTHG-UHFFFAOYSA-N
XLogP2.23
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
CID 146098508
[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110098110
1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 91767064
[7-(2-hydroxyethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-(1H-indol-5-yl)methanone
CID 167945951
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 127245263
8-(1H-indole-5-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131655985
1-(4-fluorophenyl)-4-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 70718148
[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 128980534
[4-(1H-indole-5-carbonyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137335812
ethyl (3S)-1-(1H-indole-5-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 26334422
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone (CID 70752590) is [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CCCC(O)(CN2CCCC2)C1.
What is the InChIKey of [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is PRMXDPAOGNUTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(16-4-5-17-15(12-16)6-8-20-17)22-11-3-7-19(24,14-22)13-21-9-1-2-10-21/h4-6,8,12,20,24H,1-3,7,9-11,13-14H2.
What are the key properties of [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone?
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 70752590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).