1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide

C19H29N5O4 — CID 169168000

IUPAC1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2C(N)=O)c(N)n(CC2CCC2)c1=O
InChIInChI=1S/C19H29N5O4/c1-2-23-18(27)15(16(20)24(19(23)28)10-12-6-5-7-12)14(25)11-22-9-4-3-8-13(22)17(21)26/h12-13H,2-11,20H2,1H3,(H2,21,26)
InChIKeyKAGHUXBIFFVSQF-UHFFFAOYSA-N
MW391.47 g/mol
LogP-0.07
Rot. Bonds7

About 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide

1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 169168000) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID169168000
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2C(N)=O)c(N)n(CC2CCC2)c1=O
InChIInChI=1S/C19H29N5O4/c1-2-23-18(27)15(16(20)24(19(23)28)10-12-6-5-7-12)14(25)11-22-9-4-3-8-13(22)17(21)26/h12-13H,2-11,20H2,1H3,(H2,21,26)
InChIKeyKAGHUXBIFFVSQF-UHFFFAOYSA-N
XLogP-0.07
TPSA133.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide with MolForge

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Related Compounds

4-[1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]-N,N-diethylpiperazine-1-sulfonamide
CID 42931653
1-[2-[6-Amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169167870
2-[[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 169167966
2-[[2-[6-Amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 169168004
6-Amino-5-[2-[2-(aminomethyl)piperidin-1-yl]acetyl]-1-(cyclohexylmethyl)-3-ethylpyrimidine-2,4-dione
CID 170195761
(2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 170543311
6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
CID 2682236
6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
CID 2682240
6-Amino-3-methyl-5-[2-(4-methylpiperidin-1-yl)acetyl]-1-propylpyrimidine-2,4-dione
CID 2682300
6-amino-3-methyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
CID 2682308
6-amino-3-methyl-5-[2-[(2S)-2-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
CID 2682312
6-amino-5-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 8929848

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide (CID 169168000) is 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide is CCn1c(=O)c(C(=O)CN2CCCCC2C(N)=O)c(N)n(CC2CCC2)c1=O.
What is the InChIKey of 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is KAGHUXBIFFVSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-2-23-18(27)15(16(20)24(19(23)28)10-12-6-5-7-12)14(25)11-22-9-4-3-8-13(22)17(21)26/h12-13H,2-11,20H2,1H3,(H2,21,26).
What are the key properties of 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 169168000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).