2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide

C15H28N4O2 — CID 79703748

IUPAC2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H28N4O2/c1-3-17-15(21)18-14(20)11(2)19(13-4-5-13)10-12-6-8-16-9-7-12/h11-13,16H,3-10H2,1-2H3,(H2,17,18,20,21)
InChIKeyXPVSMRWJMMZKGG-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.68
Rot. Bonds6

About 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide

2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide (PubChem CID 79703748) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide
PubChem CID79703748
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H28N4O2/c1-3-17-15(21)18-14(20)11(2)19(13-4-5-13)10-12-6-8-16-9-7-12/h11-13,16H,3-10H2,1-2H3,(H2,17,18,20,21)
InChIKeyXPVSMRWJMMZKGG-UHFFFAOYSA-N
XLogP0.68
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide (CID 79703748) is 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)N(CC1CCNCC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is XPVSMRWJMMZKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-17-15(21)18-14(20)11(2)19(13-4-5-13)10-12-6-8-16-9-7-12/h11-13,16H,3-10H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide?
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 296.42 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 79703748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).