N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide

C19H34N5O4+ — CID 8583086

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)C[NH+]2CCCC[C@H]2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O4/c1-4-5-10-24-17(20)16(18(26)21-19(24)27)23(11-12-28-3)15(25)13-22-9-7-6-8-14(22)2/h14H,4-13,20H2,1-3H3,(H,21,26,27)/p+1/t14-/m1/s1
InChIKeyYHLZTAQWPVKZHP-CQSZACIVSA-O
MW396.51 g/mol
LogP-0.64
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8583086) has the molecular formula C19H34N5O4+ and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID8583086
Molecular FormulaC19H34N5O4+
Molecular Weight396.51 g/mol
Exact Mass396.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)C[NH+]2CCCC[C@H]2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O4/c1-4-5-10-24-17(20)16(18(26)21-19(24)27)23(11-12-28-3)15(25)13-22-9-7-6-8-14(22)2/h14H,4-13,20H2,1-3H3,(H,21,26,27)/p+1/t14-/m1/s1
InChIKeyYHLZTAQWPVKZHP-CQSZACIVSA-O
XLogP-0.64
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 8583086) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is CCCCn1c(N)c(N(CCOC)C(=O)C[NH+]2CCCC[C@H]2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is YHLZTAQWPVKZHP-CQSZACIVSA-O. The full InChI is InChI=1S/C19H33N5O4/c1-4-5-10-24-17(20)16(18(26)21-19(24)27)23(11-12-28-3)15(25)13-22-9-7-6-8-14(22)2/h14H,4-13,20H2,1-3H3,(H,21,26,27)/p+1/t14-/m1/s1.
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 396.51 g/mol, XLogP of -0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8583086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).