1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide

C14H23N5O3 — CID 4855112

IUPAC1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCCCn1c(N)c(N2CCC(C(N)=O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N5O3/c1-2-3-6-19-11(15)10(13(21)17-14(19)22)18-7-4-9(5-8-18)12(16)20/h9H,2-8,15H2,1H3,(H2,16,20)(H,17,21,22)
InChIKeyUQYOOYLSNMCHCX-UHFFFAOYSA-N
MW309.37 g/mol
LogP-0.38
Rot. Bonds5

About 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide

1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 4855112) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID4855112
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCCCn1c(N)c(N2CCC(C(N)=O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N5O3/c1-2-3-6-19-11(15)10(13(21)17-14(19)22)18-7-4-9(5-8-18)12(16)20/h9H,2-8,15H2,1H3,(H2,16,20)(H,17,21,22)
InChIKeyUQYOOYLSNMCHCX-UHFFFAOYSA-N
XLogP-0.38
TPSA127.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide (CID 4855112) is 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide is CCCCn1c(N)c(N2CCC(C(N)=O)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is UQYOOYLSNMCHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-2-3-6-19-11(15)10(13(21)17-14(19)22)18-7-4-9(5-8-18)12(16)20/h9H,2-8,15H2,1H3,(H2,16,20)(H,17,21,22).
What are the key properties of 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide?
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 4855112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).