4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one

C15H26N4O2 — CID 136978749

IUPAC4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(OCCCN)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O2/c1-11(2)15-17-13(10-14(20)18-15)19-7-4-12(5-8-19)21-9-3-6-16/h10-12H,3-9,16H2,1-2H3,(H,17,18,20)
InChIKeyMJAFSZGSUPNGQZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.23
Rot. Bonds6

About 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136978749) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136978749
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(OCCCN)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H26N4O2/c1-11(2)15-17-13(10-14(20)18-15)19-7-4-12(5-8-19)21-9-3-6-16/h10-12H,3-9,16H2,1-2H3,(H,17,18,20)
InChIKeyMJAFSZGSUPNGQZ-UHFFFAOYSA-N
XLogP1.23
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one 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

4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137008671
4-(4-methylazepan-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989987
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
4-[3-(methylamino)pyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978866
4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973398
4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136822001
4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137008940
4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009379
4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978566
4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137013272
2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009570
methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 137009937

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136978749) is 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC(OCCCN)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MJAFSZGSUPNGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)15-17-13(10-14(20)18-15)19-7-4-12(5-8-19)21-9-3-6-16/h10-12H,3-9,16H2,1-2H3,(H,17,18,20).
What are the key properties of 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 294.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136978749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).