tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate

C17H27N5O5 — CID 67041567

IUPACtert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate
SMILESCn1c(N)c(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C17H27N5O5/c1-17(2,3)27-16(26)22-8-6-10(7-9-22)13(23)19-11-12(18)20(4)15(25)21(5)14(11)24/h10H,6-9,18H2,1-5H3,(H,19,23)
InChIKeyLWJWVYCDHHVJLU-UHFFFAOYSA-N
MW381.43 g/mol
LogP0.25
Rot. Bonds2

About tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 67041567) has the molecular formula C17H27N5O5 and a molecular weight of 381.43 g/mol. Its IUPAC name is tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID67041567
Molecular FormulaC17H27N5O5
Molecular Weight381.43 g/mol
Exact Mass381.20
IUPAC Nametert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate
SMILESCn1c(N)c(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C17H27N5O5/c1-17(2,3)27-16(26)22-8-6-10(7-9-22)13(23)19-11-12(18)20(4)15(25)21(5)14(11)24/h10H,6-9,18H2,1-5H3,(H,19,23)
InChIKeyLWJWVYCDHHVJLU-UHFFFAOYSA-N
XLogP0.25
TPSA128.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate (CID 67041567) is tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate is Cn1c(N)c(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O.
What is the InChIKey of tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is LWJWVYCDHHVJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O5/c1-17(2,3)27-16(26)22-8-6-10(7-9-22)13(23)19-11-12(18)20(4)15(25)21(5)14(11)24/h10H,6-9,18H2,1-5H3,(H,19,23).
What are the key properties of tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 67041567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).