2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone

C17H27N5O — CID 53189362

IUPAC2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone
SMILESCNc1nccc(N2CCC(CC(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C17H27N5O/c1-18-17-19-8-5-15(20-17)21-11-6-14(7-12-21)13-16(23)22-9-3-2-4-10-22/h5,8,14H,2-4,6-7,9-13H2,1H3,(H,18,19,20)
InChIKeyVSMNZSHTZFIZDA-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.14
Rot. Bonds4

About 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone

2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone (PubChem CID 53189362) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone
PubChem CID53189362
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone
SMILESCNc1nccc(N2CCC(CC(=O)N3CCCCC3)CC2)n1
InChIInChI=1S/C17H27N5O/c1-18-17-19-8-5-15(20-17)21-11-6-14(7-12-21)13-16(23)22-9-3-2-4-10-22/h5,8,14H,2-4,6-7,9-13H2,1H3,(H,18,19,20)
InChIKeyVSMNZSHTZFIZDA-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone (CID 53189362) is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone is CNc1nccc(N2CCC(CC(=O)N3CCCCC3)CC2)n1.
What is the InChIKey of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone?
The InChIKey is VSMNZSHTZFIZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-18-17-19-8-5-15(20-17)21-11-6-14(7-12-21)13-16(23)22-9-3-2-4-10-22/h5,8,14H,2-4,6-7,9-13H2,1H3,(H,18,19,20).
What are the key properties of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone?
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone has a molecular weight of 317.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 53189362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).