(3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

C18H25N3O3 — CID 95597531

IUPAC(3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@@H](CO)C1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H25N3O3/c1-13(19-18(24)20-9-4-5-14(11-20)12-22)17(23)21-10-8-15-6-2-3-7-16(15)21/h2-3,6-7,13-14,22H,4-5,8-12H2,1H3,(H,19,24)/t13-,14-/m1/s1
InChIKeyLQAFOIOMPSEBKL-ZIAGYGMSSA-N
MW331.42 g/mol
LogP1.38
Rot. Bonds3

About (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

(3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 95597531) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID95597531
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@@H](CO)C1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H25N3O3/c1-13(19-18(24)20-9-4-5-14(11-20)12-22)17(23)21-10-8-15-6-2-3-7-16(15)21/h2-3,6-7,13-14,22H,4-5,8-12H2,1H3,(H,19,24)/t13-,14-/m1/s1
InChIKeyLQAFOIOMPSEBKL-ZIAGYGMSSA-N
XLogP1.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-methylbutyl)urea
CID 46383468
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-1-one
CID 2447407
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 95597531) is (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC[C@@H](CO)C1)C(=O)N1CCc2ccccc21.
What is the InChIKey of (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is LQAFOIOMPSEBKL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(19-18(24)20-9-4-5-14(11-20)12-22)17(23)21-10-8-15-6-2-3-7-16(15)21/h2-3,6-7,13-14,22H,4-5,8-12H2,1H3,(H,19,24)/t13-,14-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
(3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95597531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).