N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H23N5O3 — CID 131895160

IUPACN-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1CCN(CCCNC(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C18H23N5O3/c19-16(24)13-5-10-22(11-6-13)8-3-7-20-17(25)14-12-21-15-4-1-2-9-23(15)18(14)26/h1-2,4,9,12-13H,3,5-8,10-11H2,(H2,19,24)(H,20,25)
InChIKeyORRKNUNNWVHUBQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.01
Rot. Bonds6

About N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 131895160) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID131895160
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)C1CCN(CCCNC(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C18H23N5O3/c19-16(24)13-5-10-22(11-6-13)8-3-7-20-17(25)14-12-21-15-4-1-2-9-23(15)18(14)26/h1-2,4,9,12-13H,3,5-8,10-11H2,(H2,19,24)(H,20,25)
InChIKeyORRKNUNNWVHUBQ-UHFFFAOYSA-N
XLogP0.01
TPSA109.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 131895160) is N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is NC(=O)C1CCN(CCCNC(=O)c2cnc3ccccn3c2=O)CC1.
What is the InChIKey of N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ORRKNUNNWVHUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-16(24)13-5-10-22(11-6-13)8-3-7-20-17(25)14-12-21-15-4-1-2-9-23(15)18(14)26/h1-2,4,9,12-13H,3,5-8,10-11H2,(H2,19,24)(H,20,25).
What are the key properties of N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbamoylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131895160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).