N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide

C17H26N4O2 — CID 126940623

IUPACN-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1cncn(CC2CCN(C(=O)NC3CCCC3)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-13-10-18-12-21(16(13)22)11-14-6-8-20(9-7-14)17(23)19-15-4-2-3-5-15/h10,12,14-15H,2-9,11H2,1H3,(H,19,23)
InChIKeyHSLXETHQFYNSTE-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.92
Rot. Bonds3

About N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide

N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 126940623) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID126940623
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1cncn(CC2CCN(C(=O)NC3CCCC3)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-13-10-18-12-21(16(13)22)11-14-6-8-20(9-7-14)17(23)19-15-4-2-3-5-15/h10,12,14-15H,2-9,11H2,1H3,(H,19,23)
InChIKeyHSLXETHQFYNSTE-UHFFFAOYSA-N
XLogP1.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide (CID 126940623) is N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide is Cc1cncn(CC2CCN(C(=O)NC3CCCC3)CC2)c1=O.
What is the InChIKey of N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is HSLXETHQFYNSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-10-18-12-21(16(13)22)11-14-6-8-20(9-7-14)17(23)19-15-4-2-3-5-15/h10,12,14-15H,2-9,11H2,1H3,(H,19,23).
What are the key properties of N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126940623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).