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

C17H25N3O — CID 81133525

IUPAC(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)[C@@H]1CCCNC1
InChIInChI=1S/C17H25N3O/c21-17(15-6-3-9-18-13-15)19-10-4-11-20-12-8-14-5-1-2-7-16(14)20/h1-2,5,7,15,18H,3-4,6,8-13H2,(H,19,21)/t15-/m1/s1
InChIKeyPEIUPJNHSHKGHQ-OAHLLOKOSA-N
MW287.41 g/mol
LogP1.55
Rot. Bonds5

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

(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 81133525) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
PubChem CID81133525
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)[C@@H]1CCCNC1
InChIInChI=1S/C17H25N3O/c21-17(15-6-3-9-18-13-15)19-10-4-11-20-12-8-14-5-1-2-7-16(14)20/h1-2,5,7,15,18H,3-4,6,8-13H2,(H,19,21)/t15-/m1/s1
InChIKeyPEIUPJNHSHKGHQ-OAHLLOKOSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851186
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-2-carboxamide
CID 103813592
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119851195
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119851194
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168284
(3R)-N-(3-indol-1-ylpropyl)piperidine-3-carboxamide
CID 81133523
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126454273
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-3-carboxamide;hydrochloride
CID 119333239
1-(4-chlorophenyl)sulfonyl-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 133189530
N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide
CID 82896756

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide (CID 81133525) is (3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide is O=C(NCCCN1CCc2ccccc21)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is PEIUPJNHSHKGHQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(15-6-3-9-18-13-15)19-10-4-11-20-12-8-14-5-1-2-7-16(14)20/h1-2,5,7,15,18H,3-4,6,8-13H2,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide?
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 81133525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).