[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone

C17H26N4O — CID 119435141

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H26N4O/c1-13(18)15-6-2-3-11-21(15)17(22)14-7-8-16(19-12-14)20-9-4-5-10-20/h7-8,12-13,15H,2-6,9-11,18H2,1H3
InChIKeyFGDHJPDOTCOGIB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.02
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone (PubChem CID 119435141) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
PubChem CID119435141
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H26N4O/c1-13(18)15-6-2-3-11-21(15)17(22)14-7-8-16(19-12-14)20-9-4-5-10-20/h7-8,12-13,15H,2-6,9-11,18H2,1H3
InChIKeyFGDHJPDOTCOGIB-UHFFFAOYSA-N
XLogP2.02
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 124569378
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124569587
[(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
[2-(1-aminoethyl)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone
CID 119437588
[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
CID 119436014
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
(2R)-1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371097
1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356013
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124689263
[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 63255158
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 124569323

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone (CID 119435141) is [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone is CC(N)C1CCCCN1C(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone?
The InChIKey is FGDHJPDOTCOGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13(18)15-6-2-3-11-21(15)17(22)14-7-8-16(19-12-14)20-9-4-5-10-20/h7-8,12-13,15H,2-6,9-11,18H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 119435141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).