[1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium

C19H29FN5O2+ — CID 163722662

IUPAC[1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium
SMILES[NH3+]C1CCCN(C(=O)C2CC2)C1COC1CCN(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/p+1
InChIKeyKSWYKAYRDHBBOP-UHFFFAOYSA-O
MW378.47 g/mol
LogP0.61
Rot. Bonds5

About [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium

[1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium (PubChem CID 163722662) has the molecular formula C19H29FN5O2+ and a molecular weight of 378.47 g/mol. Its IUPAC name is [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium.

Molecular Properties

Compound Name[1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium
PubChem CID163722662
Molecular FormulaC19H29FN5O2+
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name[1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium
SMILES[NH3+]C1CCCN(C(=O)C2CC2)C1COC1CCN(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/p+1
InChIKeyKSWYKAYRDHBBOP-UHFFFAOYSA-O
XLogP0.61
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium with MolForge

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Related Compounds

US10287305, Example 202
CID 130310257
5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
CID 134612280
US10287305, Example 211
CID 130310262
US10287305, Example 196
CID 130310249
N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
CID 97379846
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
1'-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-1,4'-bipiperidine-3-carboxamide
CID 56863879
N-[(1r,4r)-4-(5-fluoro-2-pyrimidinyloxy)cyclohexyl]-1-acetyl-4-piperidinecarboxamide
CID 91626362
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]morpholine-4-carboxamide
CID 91626436
2-Cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 131644954
N-[(2S,3R)-1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472211
N-[1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472213

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium?
The IUPAC name of [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium (CID 163722662) is [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium.
What is the SMILES notation for [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium?
The canonical SMILES for [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium is [NH3+]C1CCCN(C(=O)C2CC2)C1COC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium?
The InChIKey is KSWYKAYRDHBBOP-UHFFFAOYSA-O. 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/p+1.
What are the key properties of [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium?
[1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium has a molecular weight of 378.47 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropanecarbonyl)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]azanium is sourced from PubChem (CID 163722662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).