(3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide

C17H24FN5O2 — CID 138612601

IUPAC(3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide
SMILESNC/C(=C\F)COc1cnc(N2CCC[C@H](C(=O)NC3CC3)C2)nc1
InChIInChI=1S/C17H24FN5O2/c18-6-12(7-19)11-25-15-8-20-17(21-9-15)23-5-1-2-13(10-23)16(24)22-14-3-4-14/h6,8-9,13-14H,1-5,7,10-11,19H2,(H,22,24)/b12-6+/t13-/m0/s1
InChIKeyXCGDCEROXHPUKI-UWUHSAQLSA-N
MW349.41 g/mol
LogP1.16
Rot. Bonds7

About (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide

(3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 138612601) has the molecular formula C17H24FN5O2 and a molecular weight of 349.41 g/mol. Its IUPAC name is (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID138612601
Molecular FormulaC17H24FN5O2
Molecular Weight349.41 g/mol
Exact Mass349.19
IUPAC Name(3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide
SMILESNC/C(=C\F)COc1cnc(N2CCC[C@H](C(=O)NC3CC3)C2)nc1
InChIInChI=1S/C17H24FN5O2/c18-6-12(7-19)11-25-15-8-20-17(21-9-15)23-5-1-2-13(10-23)16(24)22-14-3-4-14/h6,8-9,13-14H,1-5,7,10-11,19H2,(H,22,24)/b12-6+/t13-/m0/s1
InChIKeyXCGDCEROXHPUKI-UWUHSAQLSA-N
XLogP1.16
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide with MolForge

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Related Compounds

2-[(3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]piperidin-3-yl]-N-cyclopropylacetamide;hydrochloride
CID 135356422
tert-butyl N-[(E)-2-[[2-[3-(cyclopropylcarbamoyl)piperidin-1-yl]pyrimidin-5-yl]oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 166785695
N-cyclopropyl-1-(5-ethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 166600796
(E)-3-fluoro-2-[[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]oxymethyl]prop-2-en-1-amine
CID 134254328
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]oxymethyl]-3-fluoroprop-2-en-1-amine
CID 175172248
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335318
(3S)-3-[1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]piperidin-4-yl]oxy-1-methylpyrrolidin-2-one
CID 138612635
7-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-3-one
CID 135307337
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975360
1-(3-chloro-4-pyridinyl)-N-cyclopropylpiperidine-3-carboxamide
CID 165434408

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide (CID 138612601) is (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide is NC/C(=C\F)COc1cnc(N2CCC[C@H](C(=O)NC3CC3)C2)nc1.
What is the InChIKey of (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is XCGDCEROXHPUKI-UWUHSAQLSA-N. The full InChI is InChI=1S/C17H24FN5O2/c18-6-12(7-19)11-25-15-8-20-17(21-9-15)23-5-1-2-13(10-23)16(24)22-14-3-4-14/h6,8-9,13-14H,1-5,7,10-11,19H2,(H,22,24)/b12-6+/t13-/m0/s1.
What are the key properties of (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide?
(3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 138612601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).