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

C20H27Cl2N3O2 — CID 119622400

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
SMILESCc1nc(-c2ccco2)ccc1C(=O)N1CCC(NCC2CC2)CC1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-14-17(6-7-18(22-14)19-3-2-12-25-19)20(24)23-10-8-16(9-11-23)21-13-15-4-5-15;;/h2-3,6-7,12,15-16,21H,4-5,8-11,13H2,1H3;2*1H
InChIKeyXHMMLMIIOVUNFU-UHFFFAOYSA-N
MW412.36 g/mol
LogP4.10
Rot. Bonds5

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

[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119622400) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
PubChem CID119622400
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
SMILESCc1nc(-c2ccco2)ccc1C(=O)N1CCC(NCC2CC2)CC1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-14-17(6-7-18(22-14)19-3-2-12-25-19)20(24)23-10-8-16(9-11-23)21-13-15-4-5-15;;/h2-3,6-7,12,15-16,21H,4-5,8-11,13H2,1H3;2*1H
InChIKeyXHMMLMIIOVUNFU-UHFFFAOYSA-N
XLogP4.10
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride (CID 119622400) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride is Cc1nc(-c2ccco2)ccc1C(=O)N1CCC(NCC2CC2)CC1.Cl.Cl.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is XHMMLMIIOVUNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c1-14-17(6-7-18(22-14)19-3-2-12-25-19)20(24)23-10-8-16(9-11-23)21-13-15-4-5-15;;/h2-3,6-7,12,15-16,21H,4-5,8-11,13H2,1H3;2*1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119622400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).