N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide

C19H28N4O3 — CID 127890835

IUPACN-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)Cn2cnc3c(c2=O)CCC3)CC1
InChIInChI=1S/C19H28N4O3/c1-13(2)21(3)18(25)14-7-9-22(10-8-14)17(24)11-23-12-20-16-6-4-5-15(16)19(23)26/h12-14H,4-11H2,1-3H3
InChIKeyJDBADGJVJOKKKC-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.84
Rot. Bonds4

About N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide

N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 127890835) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID127890835
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)Cn2cnc3c(c2=O)CCC3)CC1
InChIInChI=1S/C19H28N4O3/c1-13(2)21(3)18(25)14-7-9-22(10-8-14)17(24)11-23-12-20-16-6-4-5-15(16)19(23)26/h12-14H,4-11H2,1-3H3
InChIKeyJDBADGJVJOKKKC-UHFFFAOYSA-N
XLogP0.84
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 127890835) is N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(C(=O)Cn2cnc3c(c2=O)CCC3)CC1.
What is the InChIKey of N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is JDBADGJVJOKKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)21(3)18(25)14-7-9-22(10-8-14)17(24)11-23-12-20-16-6-4-5-15(16)19(23)26/h12-14H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide?
N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 127890835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).