4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide

C23H36N6O3 — CID 52527484

IUPAC4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C23H36N6O3/c1-2-27-9-3-4-20(27)17-25-22(30)18-7-10-29(11-8-18)23(31)26-19-5-6-21(24-16-19)28-12-14-32-15-13-28/h5-6,16,18,20H,2-4,7-15,17H2,1H3,(H,25,30)(H,26,31)/t20-/m1/s1
InChIKeyRNQXEWSQEMWESM-HXUWFJFHSA-N
MW444.58 g/mol
LogP1.76
Rot. Bonds6

About 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide

4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide (PubChem CID 52527484) has the molecular formula C23H36N6O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide
PubChem CID52527484
Molecular FormulaC23H36N6O3
Molecular Weight444.58 g/mol
Exact Mass444.28
IUPAC Name4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C23H36N6O3/c1-2-27-9-3-4-20(27)17-25-22(30)18-7-10-29(11-8-18)23(31)26-19-5-6-21(24-16-19)28-12-14-32-15-13-28/h5-6,16,18,20H,2-4,7-15,17H2,1H3,(H,25,30)(H,26,31)/t20-/m1/s1
InChIKeyRNQXEWSQEMWESM-HXUWFJFHSA-N
XLogP1.76
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)thiourea
CID 42943839
(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 51971203
1-benzyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55986688
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46340074
3-hydroxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 53499809
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 95114393
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241

Frequently Asked Questions

What is the IUPAC name of 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide (CID 52527484) is 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide is CCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1.
What is the InChIKey of 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide?
The InChIKey is RNQXEWSQEMWESM-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H36N6O3/c1-2-27-9-3-4-20(27)17-25-22(30)18-7-10-29(11-8-18)23(31)26-19-5-6-21(24-16-19)28-12-14-32-15-13-28/h5-6,16,18,20H,2-4,7-15,17H2,1H3,(H,25,30)(H,26,31)/t20-/m1/s1.
What are the key properties of 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide?
4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide has a molecular weight of 444.58 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 52527484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).