N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide

C17H26N4O2 — CID 118786538

IUPACN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-2-6-14-13(9-18-12-19-14)17(22)20-15-10-23-11-16(15)21-7-4-3-5-8-21/h9,12,15-16H,2-8,10-11H2,1H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyLULOWVGBBPAZOO-HOTGVXAUSA-N
MW318.42 g/mol
LogP1.41
Rot. Bonds5

About N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide

N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide (PubChem CID 118786538) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide
PubChem CID118786538
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-2-6-14-13(9-18-12-19-14)17(22)20-15-10-23-11-16(15)21-7-4-3-5-8-21/h9,12,15-16H,2-8,10-11H2,1H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyLULOWVGBBPAZOO-HOTGVXAUSA-N
XLogP1.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide (CID 118786538) is N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)N[C@H]1COC[C@@H]1N1CCCCC1.
What is the InChIKey of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is LULOWVGBBPAZOO-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-6-14-13(9-18-12-19-14)17(22)20-15-10-23-11-16(15)21-7-4-3-5-8-21/h9,12,15-16H,2-8,10-11H2,1H3,(H,20,22)/t15-,16-/m0/s1.
What are the key properties of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide?
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 118786538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).