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

C19H31FN6O2 — CID 56880429

IUPAC1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCNc1nc(N2CCC(N3CCCC(C(=O)NCCOC)C3)CC2)ncc1F
InChIInChI=1S/C19H31FN6O2/c1-21-17-16(20)12-23-19(24-17)25-9-5-15(6-10-25)26-8-3-4-14(13-26)18(27)22-7-11-28-2/h12,14-15H,3-11,13H2,1-2H3,(H,22,27)(H,21,23,24)
InChIKeyYRQFUJRSFYSUTB-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.10
Rot. Bonds7

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

1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 56880429) has the molecular formula C19H31FN6O2 and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID56880429
Molecular FormulaC19H31FN6O2
Molecular Weight394.50 g/mol
Exact Mass394.25
IUPAC Name1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCNc1nc(N2CCC(N3CCCC(C(=O)NCCOC)C3)CC2)ncc1F
InChIInChI=1S/C19H31FN6O2/c1-21-17-16(20)12-23-19(24-17)25-9-5-15(6-10-25)26-8-3-4-14(13-26)18(27)22-7-11-28-2/h12,14-15H,3-11,13H2,1-2H3,(H,22,27)(H,21,23,24)
InChIKeyYRQFUJRSFYSUTB-UHFFFAOYSA-N
XLogP1.10
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
CID 95557835
(3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553576
N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873787
(3S)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553575
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95549665
(3S)-N-(2-methoxyethyl)-1-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95561284
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 134699717
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56758609
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188241
(3S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95527920
(3R)-1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95502510
1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56865643

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 56880429) is 1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is CNc1nc(N2CCC(N3CCCC(C(=O)NCCOC)C3)CC2)ncc1F.
What is the InChIKey of 1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is YRQFUJRSFYSUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN6O2/c1-21-17-16(20)12-23-19(24-17)25-9-5-15(6-10-25)26-8-3-4-14(13-26)18(27)22-7-11-28-2/h12,14-15H,3-11,13H2,1-2H3,(H,22,27)(H,21,23,24).
What are the key properties of 1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56880429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).