N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide

C17H27N5O3 — CID 167160584

IUPACN-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide
SMILESCN1CCC(O)(Cn2cnc(N3CCCC3CNC=O)cc2=O)CC1
InChIInChI=1S/C17H27N5O3/c1-20-7-4-17(25,5-8-20)11-21-12-19-15(9-16(21)24)22-6-2-3-14(22)10-18-13-23/h9,12-14,25H,2-8,10-11H2,1H3,(H,18,23)
InChIKeyLAOJJAWVFDYUCQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.59
Rot. Bonds6

About N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide

N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide (PubChem CID 167160584) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide
PubChem CID167160584
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide
SMILESCN1CCC(O)(Cn2cnc(N3CCCC3CNC=O)cc2=O)CC1
InChIInChI=1S/C17H27N5O3/c1-20-7-4-17(25,5-8-20)11-21-12-19-15(9-16(21)24)22-6-2-3-14(22)10-18-13-23/h9,12-14,25H,2-8,10-11H2,1H3,(H,18,23)
InChIKeyLAOJJAWVFDYUCQ-UHFFFAOYSA-N
XLogP-0.59
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide?
The IUPAC name of N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide (CID 167160584) is N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide.
What is the SMILES notation for N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide?
The canonical SMILES for N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide is CN1CCC(O)(Cn2cnc(N3CCCC3CNC=O)cc2=O)CC1.
What is the InChIKey of N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide?
The InChIKey is LAOJJAWVFDYUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-20-7-4-17(25,5-8-20)11-21-12-19-15(9-16(21)24)22-6-2-3-14(22)10-18-13-23/h9,12-14,25H,2-8,10-11H2,1H3,(H,18,23).
What are the key properties of N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide?
N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide has a molecular weight of 349.44 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-6-oxopyrimidin-4-yl]pyrrolidin-2-yl]methyl]formamide is sourced from PubChem (CID 167160584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).