[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone

C18H23N3O2 — CID 119517591

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
SMILESCc1nc(-c2ccco2)ccc1C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C18H23N3O2/c1-12(19)14-7-9-21(10-8-14)18(22)15-5-6-16(20-13(15)2)17-4-3-11-23-17/h3-6,11-12,14H,7-10,19H2,1-2H3
InChIKeyCFAZTWKWFSSTCR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.85
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone (PubChem CID 119517591) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
PubChem CID119517591
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
SMILESCc1nc(-c2ccco2)ccc1C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C18H23N3O2/c1-12(19)14-7-9-21(10-8-14)18(22)15-5-6-16(20-13(15)2)17-4-3-11-23-17/h3-6,11-12,14H,7-10,19H2,1-2H3
InChIKeyCFAZTWKWFSSTCR-UHFFFAOYSA-N
XLogP2.85
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119410101
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663
[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119645055
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 120818933
[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119622400
(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 99718288
[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95296331
1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 102553983
[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 119517982
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone (CID 119517591) is [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone is Cc1nc(-c2ccco2)ccc1C(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone?
The InChIKey is CFAZTWKWFSSTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(19)14-7-9-21(10-8-14)18(22)15-5-6-16(20-13(15)2)17-4-3-11-23-17/h3-6,11-12,14H,7-10,19H2,1-2H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone is sourced from PubChem (CID 119517591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).