(4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone

C20H23N5O2 — CID 167840954

IUPAC(4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone
SMILESCN(Cc1cc2ccccc2o1)c1ncc(C(=O)N2CCC(N)CC2)cn1
InChIInChI=1S/C20H23N5O2/c1-24(13-17-10-14-4-2-3-5-18(14)27-17)20-22-11-15(12-23-20)19(26)25-8-6-16(21)7-9-25/h2-5,10-12,16H,6-9,13,21H2,1H3
InChIKeyMCYMLMJTHHZRIZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.42
Rot. Bonds4

About (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone

(4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone (PubChem CID 167840954) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone
PubChem CID167840954
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone
SMILESCN(Cc1cc2ccccc2o1)c1ncc(C(=O)N2CCC(N)CC2)cn1
InChIInChI=1S/C20H23N5O2/c1-24(13-17-10-14-4-2-3-5-18(14)27-17)20-22-11-15(12-23-20)19(26)25-8-6-16(21)7-9-25/h2-5,10-12,16H,6-9,13,21H2,1H3
InChIKeyMCYMLMJTHHZRIZ-UHFFFAOYSA-N
XLogP2.42
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone with MolForge

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Related Compounds

[5-[1-benzofuran-2-ylmethyl(methyl)amino]pyrazin-2-yl]-(1,4-diazepan-1-yl)methanone
CID 167863202
ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133355595
[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109256784
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
2-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
CID 146144651
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
N-(1-benzofuran-2-ylmethyl)-N-methylpyridin-2-amine
CID 133355483
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-amine
CID 139674632
N-(1-benzofuran-2-ylmethyl)-3,4,5-trimethoxy-N-methylbenzamide;1-(cyclohexylmethyl)pyrrolidine;ethane
CID 143210530
1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea
CID 71865742

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone (CID 167840954) is (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone is CN(Cc1cc2ccccc2o1)c1ncc(C(=O)N2CCC(N)CC2)cn1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is MCYMLMJTHHZRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24(13-17-10-14-4-2-3-5-18(14)27-17)20-22-11-15(12-23-20)19(26)25-8-6-16(21)7-9-25/h2-5,10-12,16H,6-9,13,21H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone?
(4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-[1-benzofuran-2-ylmethyl(methyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 167840954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).