1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

C18H28FN5O2 — CID 56863879

IUPAC1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C18H28FN5O2/c1-26-10-6-20-17(25)14-3-2-7-24(13-14)16-4-8-23(9-5-16)18-21-11-15(19)12-22-18/h11-12,14,16H,2-10,13H2,1H3,(H,20,25)
InChIKeyGYJVTLHCQKVRKI-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.06
Rot. Bonds6

About 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 56863879) has the molecular formula C18H28FN5O2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID56863879
Molecular FormulaC18H28FN5O2
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC Name1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C18H28FN5O2/c1-26-10-6-20-17(25)14-3-2-7-24(13-14)16-4-8-23(9-5-16)18-21-11-15(19)12-22-18/h11-12,14,16H,2-10,13H2,1H3,(H,20,25)
InChIKeyGYJVTLHCQKVRKI-UHFFFAOYSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-4-(pentylamino)pyrimidine-5-carboxamide
CID 59625541
[(1-Pyrimidin-2-yl-piperidine-3-carbonyl)-amino]-acetic acid ethyl ester
CID 644802
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
5-(5-fluoropyrimidin-2-yl)-2-morpholin-4-yl-6-[[(3R)-piperidin-3-yl]amino]-1,3-diazinan-4-one
CID 134612280
3-(Morpholin-4-ylcarbonyl)-1'-pyrimidin-2-yl-1,4'-bipiperidine
CID 56862502
US11077113, Example 6
CID 162533416
(4aS*,8aR*)-6-(5-fluoropyrimidin-2-yl)-1-[2-(methylamino)ethyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 70743436
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
2-(2-Methoxyethyl)-8-{[2-(methylamino)-5-pyrimidinyl]carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
CID 70705443
1-(4-((5-fluoro-4-((S)-3-((S)-3-hydroxypyrrolidine-1-carbonyl)piperidin-1-yl)pyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172590065
1-(4-((5-fluoro-4-((S)-3-((R)-3-hydroxypyrrolidine-1-carbonyl)piperidin-1-yl)pyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172590162
trans-(S)-1-(2-((4-acetamidocyclohexyl)amino)-5-fluoropyrimidin-4-yl)-N-cyclopropylpiperidine-3-carboxamide
CID 172590442

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 56863879) is 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(c3ncc(F)cn3)CC2)C1.
What is the InChIKey of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is GYJVTLHCQKVRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O2/c1-26-10-6-20-17(25)14-3-2-7-24(13-14)16-4-8-23(9-5-16)18-21-11-15(19)12-22-18/h11-12,14,16H,2-10,13H2,1H3,(H,20,25).
What are the key properties of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56863879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).