3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid

C18H25N5O4 — CID 174225423

IUPAC3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid
SMILESO=C(O)NCCCN1CCN(c2ccc(N3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H25N5O4/c24-16-6-9-23(17(25)20-16)15-4-2-14(3-5-15)22-12-10-21(11-13-22)8-1-7-19-18(26)27/h2-5,19H,1,6-13H2,(H,26,27)(H,20,24,25)
InChIKeyDICBEEUSKSGVNC-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.91
Rot. Bonds6

About 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid

3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid (PubChem CID 174225423) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid.

Molecular Properties

Compound Name3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid
PubChem CID174225423
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid
SMILESO=C(O)NCCCN1CCN(c2ccc(N3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H25N5O4/c24-16-6-9-23(17(25)20-16)15-4-2-14(3-5-15)22-12-10-21(11-13-22)8-1-7-19-18(26)27/h2-5,19H,1,6-13H2,(H,26,27)(H,20,24,25)
InChIKeyDICBEEUSKSGVNC-UHFFFAOYSA-N
XLogP0.91
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid 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

tert-butyl N-[3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propyl]carbamate
CID 164540928
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
3-(4-phenylpiperazin-1-yl)propylcarbamodithioic acid
CID 88699307
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(4-methylphenyl)oxamide
CID 42390454
2-hydroxy-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-2,2-diphenylacetamide
CID 15458689
1-(4-methylsulfonylphenyl)-1,3-diazinane-2,4-dione
CID 177010511
4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 23023749
6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
CID 38447789
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 38448455

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid?
The IUPAC name of 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid (CID 174225423) is 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid.
What is the SMILES notation for 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid?
The canonical SMILES for 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid is O=C(O)NCCCN1CCN(c2ccc(N3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid?
The InChIKey is DICBEEUSKSGVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c24-16-6-9-23(17(25)20-16)15-4-2-14(3-5-15)22-12-10-21(11-13-22)8-1-7-19-18(26)27/h2-5,19H,1,6-13H2,(H,26,27)(H,20,24,25).
What are the key properties of 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid?
3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid has a molecular weight of 375.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]propylcarbamic acid is sourced from PubChem (CID 174225423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).