1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one

C17H27N5O2 — CID 126888227

IUPAC1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
SMILESCOc1cc(NC2CCN(CCN3CCCCC3=O)CC2)ncn1
InChIInChI=1S/C17H27N5O2/c1-24-16-12-15(18-13-19-16)20-14-5-8-21(9-6-14)10-11-22-7-3-2-4-17(22)23/h12-14H,2-11H2,1H3,(H,18,19,20)
InChIKeyDBFWADNKQDTTOP-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.37
Rot. Bonds6

About 1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one

1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one (PubChem CID 126888227) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
PubChem CID126888227
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
SMILESCOc1cc(NC2CCN(CCN3CCCCC3=O)CC2)ncn1
InChIInChI=1S/C17H27N5O2/c1-24-16-12-15(18-13-19-16)20-14-5-8-21(9-6-14)10-11-22-7-3-2-4-17(22)23/h12-14H,2-11H2,1H3,(H,18,19,20)
InChIKeyDBFWADNKQDTTOP-UHFFFAOYSA-N
XLogP1.37
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113
5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one
CID 126888240
6-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888268
6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888206
6-methoxy-N-[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888112
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888157
6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888167
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one (CID 126888227) is 1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one is COc1cc(NC2CCN(CCN3CCCCC3=O)CC2)ncn1.
What is the InChIKey of 1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one?
The InChIKey is DBFWADNKQDTTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-24-16-12-15(18-13-19-16)20-14-5-8-21(9-6-14)10-11-22-7-3-2-4-17(22)23/h12-14H,2-11H2,1H3,(H,18,19,20).
What are the key properties of 1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one?
1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 126888227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).