(2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide

C14H28N4O2 — CID 95779850

IUPAC(2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)[C@@H](C)NC1CCN(C)CC1
InChIInChI=1S/C14H28N4O2/c1-10(2)9-15-14(20)17-13(19)11(3)16-12-5-7-18(4)8-6-12/h10-12,16H,5-9H2,1-4H3,(H2,15,17,19,20)/t11-/m1/s1
InChIKeyPJQLQNMGHAVOLE-LLVKDONJSA-N
MW284.40 g/mol
LogP0.54
Rot. Bonds5

About (2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide

(2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide (PubChem CID 95779850) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide
PubChem CID95779850
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name(2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)[C@@H](C)NC1CCN(C)CC1
InChIInChI=1S/C14H28N4O2/c1-10(2)9-15-14(20)17-13(19)11(3)16-12-5-7-18(4)8-6-12/h10-12,16H,5-9H2,1-4H3,(H2,15,17,19,20)/t11-/m1/s1
InChIKeyPJQLQNMGHAVOLE-LLVKDONJSA-N
XLogP0.54
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide (CID 95779850) is (2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide is CC(C)CNC(=O)NC(=O)[C@@H](C)NC1CCN(C)CC1.
What is the InChIKey of (2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide?
The InChIKey is PJQLQNMGHAVOLE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-10(2)9-15-14(20)17-13(19)11(3)16-12-5-7-18(4)8-6-12/h10-12,16H,5-9H2,1-4H3,(H2,15,17,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide?
(2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide has a molecular weight of 284.40 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide is sourced from PubChem (CID 95779850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).