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

C18H32N5O3+ — CID 8623067

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCCC[C@@H]2C)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O3/c1-4-6-11-23-16(19)15(17(25)20-18(23)26)22(5-2)14(24)12-21-10-8-7-9-13(21)3/h13H,4-12,19H2,1-3H3,(H,20,25,26)/p+1/t13-/m0/s1
InChIKeyWQEWKERAESHGDD-ZDUSSCGKSA-O
MW366.49 g/mol
LogP-0.27
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8623067) has the molecular formula C18H32N5O3+ and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID8623067
Molecular FormulaC18H32N5O3+
Molecular Weight366.49 g/mol
Exact Mass366.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCCC[C@@H]2C)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O3/c1-4-6-11-23-16(19)15(17(25)20-18(23)26)22(5-2)14(24)12-21-10-8-7-9-13(21)3/h13H,4-12,19H2,1-3H3,(H,20,25,26)/p+1/t13-/m0/s1
InChIKeyWQEWKERAESHGDD-ZDUSSCGKSA-O
XLogP-0.27
TPSA105.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202121
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(methylamino)acetamide
CID 18087322
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43012479
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentylcyclopentanecarboxamide
CID 8838842
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide
CID 18084090
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butyl-3-cyclohexylthiourea
CID 9093425
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-cyclohexylpropanamide
CID 42999818
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(1S,2S)-2-methylcyclohexyl]-1-propylthiourea
CID 9093924
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclobutanecarboxamide
CID 8839038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8615526
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea
CID 9094343
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 39911260

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 8623067) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide is CCCCn1c(N)c(N(CC)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-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is WQEWKERAESHGDD-ZDUSSCGKSA-O. The full InChI is InChI=1S/C18H31N5O3/c1-4-6-11-23-16(19)15(17(25)20-18(23)26)22(5-2)14(24)12-21-10-8-7-9-13(21)3/h13H,4-12,19H2,1-3H3,(H,20,25,26)/p+1/t13-/m0/s1.
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 366.49 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8623067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).