4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one

C19H24N4O3 — CID 136801295

IUPAC4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESO=C(c1ccc(CN2CCCC2)o1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C19H24N4O3/c24-18-10-16(20-13-21-18)14-4-3-9-23(11-14)19(25)17-6-5-15(26-17)12-22-7-1-2-8-22/h5-6,10,13-14H,1-4,7-9,11-12H2,(H,20,21,24)/t14-/m0/s1
InChIKeyNASMKLGUEUIDJI-AWEZNQCLSA-N
MW356.43 g/mol
LogP1.98
Rot. Bonds4

About 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one

4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136801295) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136801295
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESO=C(c1ccc(CN2CCCC2)o1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C19H24N4O3/c24-18-10-16(20-13-21-18)14-4-3-9-23(11-14)19(25)17-6-5-15(26-17)12-22-7-1-2-8-22/h5-6,10,13-14H,1-4,7-9,11-12H2,(H,20,21,24)/t14-/m0/s1
InChIKeyNASMKLGUEUIDJI-AWEZNQCLSA-N
XLogP1.98
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405
4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 135882181
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56897720
(3S)-1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 124703095
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137150690
formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 154912602
4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136883288
N-cycloheptyl-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 131947127
N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137150709
(3R)-3-(6-oxo-1H-pyrimidin-4-yl)-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-1-carboxamide
CID 137043793
3-(6-oxo-1H-pyrimidin-4-yl)-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-1-carboxamide
CID 137028643
[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 70713605

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136801295) is 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one is O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is NASMKLGUEUIDJI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18-10-16(20-13-21-18)14-4-3-9-23(11-14)19(25)17-6-5-15(26-17)12-22-7-1-2-8-22/h5-6,10,13-14H,1-4,7-9,11-12H2,(H,20,21,24)/t14-/m0/s1.
What are the key properties of 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one?
4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 356.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136801295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).