formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide

C20H26N4O6 — CID 163333924

IUPACformic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide
SMILESCc1nc(CN2CC[C@@H](O)[C@H](NC(=O)COc3ccccc3)C2)cc(=O)[nH]1.O=CO
InChIInChI=1S/C19H24N4O4.CH2O2/c1-13-20-14(9-18(25)21-13)10-23-8-7-17(24)16(11-23)22-19(26)12-27-15-5-3-2-4-6-15;2-1-3/h2-6,9,16-17,24H,7-8,10-12H2,1H3,(H,22,26)(H,20,21,25);1H,(H,2,3)/t16-,17-;/m1./s1
InChIKeyDGYDQGXZXCBJHH-GBNZRNLASA-N
MW418.45 g/mol
LogP-0.09
Rot. Bonds6

About formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide

formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide (PubChem CID 163333924) has the molecular formula C20H26N4O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound Nameformic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide
PubChem CID163333924
Molecular FormulaC20H26N4O6
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Nameformic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide
SMILESCc1nc(CN2CC[C@@H](O)[C@H](NC(=O)COc3ccccc3)C2)cc(=O)[nH]1.O=CO
InChIInChI=1S/C19H24N4O4.CH2O2/c1-13-20-14(9-18(25)21-13)10-23-8-7-17(24)16(11-23)22-19(26)12-27-15-5-3-2-4-6-15;2-1-3/h2-6,9,16-17,24H,7-8,10-12H2,1H3,(H,22,26)(H,20,21,25);1H,(H,2,3)/t16-,17-;/m1./s1
InChIKeyDGYDQGXZXCBJHH-GBNZRNLASA-N
XLogP-0.09
TPSA144.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

acetic acid;3-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]propanamide
CID 154919982
4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
CID 123895994
2-(2-chlorophenoxy)-N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]acetamide;formic acid
CID 163334048
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 137052957
2-methyl-4-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844639
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid
CID 156603949
N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide
CID 104826135
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
4-[[4-(3-chloropyridine-4-carbonyl)-1,4-diazepan-1-yl]methyl]-2-methyl-1H-pyrimidin-6-one;formic acid
CID 154918620

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide?
The IUPAC name of formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide (CID 163333924) is formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide is Cc1nc(CN2CC[C@@H](O)[C@H](NC(=O)COc3ccccc3)C2)cc(=O)[nH]1.O=CO.
What is the InChIKey of formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide?
The InChIKey is DGYDQGXZXCBJHH-GBNZRNLASA-N. The full InChI is InChI=1S/C19H24N4O4.CH2O2/c1-13-20-14(9-18(25)21-13)10-23-8-7-17(24)16(11-23)22-19(26)12-27-15-5-3-2-4-6-15;2-1-3/h2-6,9,16-17,24H,7-8,10-12H2,1H3,(H,22,26)(H,20,21,25);1H,(H,2,3)/t16-,17-;/m1./s1.
What are the key properties of formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide?
formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide has a molecular weight of 418.45 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 163333924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).