6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C19H26N4O2 — CID 138014765

IUPAC6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCN(Cc1ccccc1)CC1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1
InChIInChI=1S/C19H26N4O2/c1-21(13-15-6-4-3-5-7-15)14-16-8-10-23(11-9-16)17-12-18(24)22(2)19(25)20-17/h3-7,12,16H,8-11,13-14H2,1-2H3,(H,20,25)
InChIKeyDMKIDLXWPDAJJS-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.42
Rot. Bonds5

About 6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 138014765) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID138014765
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCN(Cc1ccccc1)CC1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1
InChIInChI=1S/C19H26N4O2/c1-21(13-15-6-4-3-5-7-15)14-16-8-10-23(11-9-16)17-12-18(24)22(2)19(25)20-17/h3-7,12,16H,8-11,13-14H2,1-2H3,(H,20,25)
InChIKeyDMKIDLXWPDAJJS-UHFFFAOYSA-N
XLogP1.42
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-2-chloroethanone
CID 66567053
(5S)-5-[4-[[benzyl(methyl)amino]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 95174347
phenyl 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanesulfonate
CID 56510289
N-benzyl-1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-N-methylmethanamine
CID 133287149
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol
CID 83980394
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
6-[[benzyl(cyclobutylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 56819791
(3-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875254

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 138014765) is 6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is CN(Cc1ccccc1)CC1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1.
What is the InChIKey of 6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is DMKIDLXWPDAJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-21(13-15-6-4-3-5-7-15)14-16-8-10-23(11-9-16)17-12-18(24)22(2)19(25)20-17/h3-7,12,16H,8-11,13-14H2,1-2H3,(H,20,25).
What are the key properties of 6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 342.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 138014765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).