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

C19H31N5O4 — CID 170543311

IUPAC(2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
SMILESCCn1c(=O)c(C(=O)CN2CCCC[C@@H]2C(N)=O)c(N)n(CC(C)(C)C)c1=O
InChIInChI=1S/C19H31N5O4/c1-5-23-17(27)14(15(20)24(18(23)28)11-19(2,3)4)13(25)10-22-9-7-6-8-12(22)16(21)26/h12H,5-11,20H2,1-4H3,(H2,21,26)/t12-/m1/s1
InChIKeyPHUIKVAFHGIJRA-GFCCVEGCSA-N
MW393.49 g/mol
LogP0.18
Rot. Bonds6

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

(2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 170543311) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID170543311
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC Name(2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
SMILESCCn1c(=O)c(C(=O)CN2CCCC[C@@H]2C(N)=O)c(N)n(CC(C)(C)C)c1=O
InChIInChI=1S/C19H31N5O4/c1-5-23-17(27)14(15(20)24(18(23)28)11-19(2,3)4)13(25)10-22-9-7-6-8-12(22)16(21)26/h12H,5-11,20H2,1-4H3,(H2,21,26)/t12-/m1/s1
InChIKeyPHUIKVAFHGIJRA-GFCCVEGCSA-N
XLogP0.18
TPSA133.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide (CID 170543311) is (2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide is CCn1c(=O)c(C(=O)CN2CCCC[C@@H]2C(N)=O)c(N)n(CC(C)(C)C)c1=O.
What is the InChIKey of (2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is PHUIKVAFHGIJRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-5-23-17(27)14(15(20)24(18(23)28)11-19(2,3)4)13(25)10-22-9-7-6-8-12(22)16(21)26/h12H,5-11,20H2,1-4H3,(H2,21,26)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide?
(2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 170543311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).