[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C16H25N5O — CID 124569587

IUPAC[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESC[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H25N5O/c1-12(17)14-6-2-3-11-21(14)16(22)13-7-8-15(19-18-13)20-9-4-5-10-20/h7-8,12,14H,2-6,9-11,17H2,1H3/t12-,14+/m0/s1
InChIKeyLRCLOSNTNJIPOO-GXTWGEPZSA-N
MW303.41 g/mol
LogP1.42
Rot. Bonds3

About [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 124569587) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID124569587
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESC[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H25N5O/c1-12(17)14-6-2-3-11-21(14)16(22)13-7-8-15(19-18-13)20-9-4-5-10-20/h7-8,12,14H,2-6,9-11,17H2,1H3/t12-,14+/m0/s1
InChIKeyLRCLOSNTNJIPOO-GXTWGEPZSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone with MolForge

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 119435141
[2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119634141
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 94750784
[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
CID 119435711
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 125150672
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 119436088
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671402
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119436087
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119436037
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 124569587) is [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is C[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is LRCLOSNTNJIPOO-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12(17)14-6-2-3-11-21(14)16(22)13-7-8-15(19-18-13)20-9-4-5-10-20/h7-8,12,14H,2-6,9-11,17H2,1H3/t12-,14+/m0/s1.
What are the key properties of [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 303.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 124569587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).