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

C19H29FN6O — CID 95557835

IUPAC(3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCNc1nc(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ncc1F
InChIInChI=1S/C19H29FN6O/c1-21-17-16(20)11-22-19(24-17)25-9-6-15(7-10-25)26-8-2-3-13(12-26)18(27)23-14-4-5-14/h11,13-15H,2-10,12H2,1H3,(H,23,27)(H,21,22,24)/t13-/m1/s1
InChIKeyXVJIFNSFPGHWOL-CYBMUJFWSA-N
MW376.48 g/mol
LogP1.62
Rot. Bonds5

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

(3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95557835) has the molecular formula C19H29FN6O and a molecular weight of 376.48 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95557835
Molecular FormulaC19H29FN6O
Molecular Weight376.48 g/mol
Exact Mass376.24
IUPAC Name(3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCNc1nc(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ncc1F
InChIInChI=1S/C19H29FN6O/c1-21-17-16(20)11-22-19(24-17)25-9-6-15(7-10-25)26-8-2-3-13(12-26)18(27)23-14-4-5-14/h11,13-15H,2-10,12H2,1H3,(H,23,27)(H,21,22,24)/t13-/m1/s1
InChIKeyXVJIFNSFPGHWOL-CYBMUJFWSA-N
XLogP1.62
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56880429
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56865488
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 56877941
N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863023
(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95550020
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
N-cyclopropyl-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56861783
(3R)-N-cyclopropyl-1-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553973
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
N-cyclopropyl-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56918441

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide (CID 95557835) is (3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide is CNc1nc(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ncc1F.
What is the InChIKey of (3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is XVJIFNSFPGHWOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H29FN6O/c1-21-17-16(20)11-22-19(24-17)25-9-6-15(7-10-25)26-8-2-3-13(12-26)18(27)23-14-4-5-14/h11,13-15H,2-10,12H2,1H3,(H,23,27)(H,21,22,24)/t13-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95557835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).