N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

C16H25Cl2N3O2 — CID 119856800

IUPACN-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCC(CNC(=O)C1CC(O)CN1)N1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C16H23N3O2.2ClH/c1-11(9-18-16(21)14-8-13(20)10-17-14)19-7-6-12-4-2-3-5-15(12)19;;/h2-5,11,13-14,17,20H,6-10H2,1H3,(H,18,21);2*1H
InChIKeyPADFQNHMWUKFBJ-UHFFFAOYSA-N
MW362.30 g/mol
LogP1.12
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119856800) has the molecular formula C16H25Cl2N3O2 and a molecular weight of 362.30 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119856800
Molecular FormulaC16H25Cl2N3O2
Molecular Weight362.30 g/mol
Exact Mass361.13
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCC(CNC(=O)C1CC(O)CN1)N1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C16H23N3O2.2ClH/c1-11(9-18-16(21)14-8-13(20)10-17-14)19-7-6-12-4-2-3-5-15(12)19;;/h2-5,11,13-14,17,20H,6-10H2,1H3,(H,18,21);2*1H
InChIKeyPADFQNHMWUKFBJ-UHFFFAOYSA-N
XLogP1.12
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-3-carboxamide;dihydrochloride
CID 119856776
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119850416
4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 119902086
(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 51725598
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119866796
(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125134999
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119804985

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119856800) is N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is CC(CNC(=O)C1CC(O)CN1)N1CCc2ccccc21.Cl.Cl.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is PADFQNHMWUKFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.2ClH/c1-11(9-18-16(21)14-8-13(20)10-17-14)19-7-6-12-4-2-3-5-15(12)19;;/h2-5,11,13-14,17,20H,6-10H2,1H3,(H,18,21);2*1H.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 362.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119856800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).