4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine

C16H23N5O — CID 138383680

IUPAC4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESc1nc(N2CCCC(CN3CCOCC3)C2)c2[nH]ccc2n1
InChIInChI=1S/C16H23N5O/c1-2-13(10-20-6-8-22-9-7-20)11-21(5-1)16-15-14(3-4-17-15)18-12-19-16/h3-4,12-13,17H,1-2,5-11H2
InChIKeyLJQSPEPDQNDTRZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.51
Rot. Bonds3

About 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine

4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine (PubChem CID 138383680) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
PubChem CID138383680
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESc1nc(N2CCCC(CN3CCOCC3)C2)c2[nH]ccc2n1
InChIInChI=1S/C16H23N5O/c1-2-13(10-20-6-8-22-9-7-20)11-21(5-1)16-15-14(3-4-17-15)18-12-19-16/h3-4,12-13,17H,1-2,5-11H2
InChIKeyLJQSPEPDQNDTRZ-UHFFFAOYSA-N
XLogP1.51
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine 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-[[(3S)-1-[3-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]quinoxalin-2-yl]piperidin-3-yl]methyl]morpholine
CID 167954677
4-[[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]morpholine
CID 95624715
4-[[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 135091123
6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95624717
2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643087
4-[[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 75422646
4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
CID 99855918
4-[[(3S)-1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]methyl]morpholine
CID 97318478
4-[[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133322304
4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine
CID 87015234
2-methyl-4-[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 138384761
4-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 138380469

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine (CID 138383680) is 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine is c1nc(N2CCCC(CN3CCOCC3)C2)c2[nH]ccc2n1.
What is the InChIKey of 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
The InChIKey is LJQSPEPDQNDTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-2-13(10-20-6-8-22-9-7-20)11-21(5-1)16-15-14(3-4-17-15)18-12-19-16/h3-4,12-13,17H,1-2,5-11H2.
What are the key properties of 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine?
4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine has a molecular weight of 301.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 138383680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).