4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide

C19H27N3O2 — CID 110936365

IUPAC4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCC(CO)CC3)ccc21
InChIInChI=1S/C19H27N3O2/c1-14(2)12-22-10-7-16-11-17(3-4-18(16)22)20-19(24)21-8-5-15(13-23)6-9-21/h3-4,7,10-11,14-15,23H,5-6,8-9,12-13H2,1-2H3,(H,20,24)
InChIKeyCSUPQZKVQHGEDG-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.53
Rot. Bonds4

About 4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide (PubChem CID 110936365) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
PubChem CID110936365
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCC(CO)CC3)ccc21
InChIInChI=1S/C19H27N3O2/c1-14(2)12-22-10-7-16-11-17(3-4-18(16)22)20-19(24)21-8-5-15(13-23)6-9-21/h3-4,7,10-11,14-15,23H,5-6,8-9,12-13H2,1-2H3,(H,20,24)
InChIKeyCSUPQZKVQHGEDG-UHFFFAOYSA-N
XLogP3.53
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide
CID 56527612
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527629
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 126767118
(3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 129325198

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide (CID 110936365) is 4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide is CC(C)Cn1ccc2cc(NC(=O)N3CCC(CO)CC3)ccc21.
What is the InChIKey of 4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The InChIKey is CSUPQZKVQHGEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)12-22-10-7-16-11-17(3-4-18(16)22)20-19(24)21-8-5-15(13-23)6-9-21/h3-4,7,10-11,14-15,23H,5-6,8-9,12-13H2,1-2H3,(H,20,24).
What are the key properties of 4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 110936365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).