[(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone

C19H28FN5O2 — CID 166854164

IUPAC[(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
SMILESN[C@H]1CCCN(C(=O)C2CC2)[C@H]1COC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C19H28FN5O2/c20-14-10-22-19(23-11-14)24-8-5-15(6-9-24)27-12-17-16(21)2-1-7-25(17)18(26)13-3-4-13/h10-11,13,15-17H,1-9,12,21H2/t16-,17-/m0/s1
InChIKeyKSWYKAYRDHBBOP-IRXDYDNUSA-N
MW377.46 g/mol
LogP1.33
Rot. Bonds5

About [(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone

[(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 166854164) has the molecular formula C19H28FN5O2 and a molecular weight of 377.46 g/mol. Its IUPAC name is [(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
PubChem CID166854164
Molecular FormulaC19H28FN5O2
Molecular Weight377.46 g/mol
Exact Mass377.22
IUPAC Name[(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
SMILESN[C@H]1CCCN(C(=O)C2CC2)[C@H]1COC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C19H28FN5O2/c20-14-10-22-19(23-11-14)24-8-5-15(6-9-24)27-12-17-16(21)2-1-7-25(17)18(26)13-3-4-13/h10-11,13,15-17H,1-9,12,21H2/t16-,17-/m0/s1
InChIKeyKSWYKAYRDHBBOP-IRXDYDNUSA-N
XLogP1.33
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone (CID 166854164) is [(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone is N[C@H]1CCCN(C(=O)C2CC2)[C@H]1COC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of [(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is KSWYKAYRDHBBOP-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H28FN5O2/c20-14-10-22-19(23-11-14)24-8-5-15(6-9-24)27-12-17-16(21)2-1-7-25(17)18(26)13-3-4-13/h10-11,13,15-17H,1-9,12,21H2/t16-,17-/m0/s1.
What are the key properties of [(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone?
[(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 377.46 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 166854164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).