formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide

C19H31N5O4 — CID 154909886

IUPACformic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCC(C)N1CCCC1CNC(=O)N1CCC(Oc2ncccn2)CC1.O=CO
InChIInChI=1S/C18H29N5O2.CH2O2/c1-14(2)23-10-3-5-15(23)13-21-18(24)22-11-6-16(7-12-22)25-17-19-8-4-9-20-17;2-1-3/h4,8-9,14-16H,3,5-7,10-13H2,1-2H3,(H,21,24);1H,(H,2,3)
InChIKeyWXZDHPIKNOOODF-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.60
Rot. Bonds5

About formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide

formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide (PubChem CID 154909886) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
PubChem CID154909886
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC Nameformic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCC(C)N1CCCC1CNC(=O)N1CCC(Oc2ncccn2)CC1.O=CO
InChIInChI=1S/C18H29N5O2.CH2O2/c1-14(2)23-10-3-5-15(23)13-21-18(24)22-11-6-16(7-12-22)25-17-19-8-4-9-20-17;2-1-3/h4,8-9,14-16H,3,5-7,10-13H2,1-2H3,(H,21,24);1H,(H,2,3)
InChIKeyWXZDHPIKNOOODF-UHFFFAOYSA-N
XLogP1.60
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The IUPAC name of formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide (CID 154909886) is formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide.
What is the SMILES notation for formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The canonical SMILES for formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide is CC(C)N1CCCC1CNC(=O)N1CCC(Oc2ncccn2)CC1.O=CO.
What is the InChIKey of formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
The InChIKey is WXZDHPIKNOOODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2.CH2O2/c1-14(2)23-10-3-5-15(23)13-21-18(24)22-11-6-16(7-12-22)25-17-19-8-4-9-20-17;2-1-3/h4,8-9,14-16H,3,5-7,10-13H2,1-2H3,(H,21,24);1H,(H,2,3).
What are the key properties of formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide?
formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 154909886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).