1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea

C16H25N5O3 — CID 167948895

IUPAC1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea
SMILESCOCC(NC(=O)NC1CCCN(c2ncc[nH]c2=O)C1)C1CC1
InChIInChI=1S/C16H25N5O3/c1-24-10-13(11-4-5-11)20-16(23)19-12-3-2-8-21(9-12)14-15(22)18-7-6-17-14/h6-7,11-13H,2-5,8-10H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyBHXRSWQPBJZLTF-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.46
Rot. Bonds6

About 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea

1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea (PubChem CID 167948895) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea
PubChem CID167948895
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea
SMILESCOCC(NC(=O)NC1CCCN(c2ncc[nH]c2=O)C1)C1CC1
InChIInChI=1S/C16H25N5O3/c1-24-10-13(11-4-5-11)20-16(23)19-12-3-2-8-21(9-12)14-15(22)18-7-6-17-14/h6-7,11-13H,2-5,8-10H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyBHXRSWQPBJZLTF-UHFFFAOYSA-N
XLogP0.46
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea with MolForge

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Related Compounds

4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476714
3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129342939
3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 129476907
N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 129476803
1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 128967383
3-amino-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 129476469
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiophene-3-carboxamide
CID 129475720
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
5,6-dimethyl-2-oxo-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 127974631
2-(dimethylamino)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 129477071
3-(furan-3-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
CID 129339480
4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476468

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea?
The IUPAC name of 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea (CID 167948895) is 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea.
What is the SMILES notation for 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea?
The canonical SMILES for 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea is COCC(NC(=O)NC1CCCN(c2ncc[nH]c2=O)C1)C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea?
The InChIKey is BHXRSWQPBJZLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-24-10-13(11-4-5-11)20-16(23)19-12-3-2-8-21(9-12)14-15(22)18-7-6-17-14/h6-7,11-13H,2-5,8-10H2,1H3,(H,18,22)(H2,19,20,23).
What are the key properties of 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea?
1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea has a molecular weight of 335.41 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea is sourced from PubChem (CID 167948895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).