2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide

C14H29N5O2 — CID 63340073

IUPAC2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCCCC(CN)N1CCN(C(C)C(=O)NC(=O)NC)CC1
InChIInChI=1S/C14H29N5O2/c1-4-5-12(10-15)19-8-6-18(7-9-19)11(2)13(20)17-14(21)16-3/h11-12H,4-10,15H2,1-3H3,(H2,16,17,20,21)
InChIKeyRWRCQKGWLXYVEZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP-0.42
Rot. Bonds6

About 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide

2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 63340073) has the molecular formula C14H29N5O2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID63340073
Molecular FormulaC14H29N5O2
Molecular Weight299.42 g/mol
Exact Mass299.23
IUPAC Name2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCCCC(CN)N1CCN(C(C)C(=O)NC(=O)NC)CC1
InChIInChI=1S/C14H29N5O2/c1-4-5-12(10-15)19-8-6-18(7-9-19)11(2)13(20)17-14(21)16-3/h11-12H,4-10,15H2,1-3H3,(H2,16,17,20,21)
InChIKeyRWRCQKGWLXYVEZ-UHFFFAOYSA-N
XLogP-0.42
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340242
2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63339702
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63338955
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
CID 43253225
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide
CID 63340524
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63341284
2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 63761122
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide
CID 63340654
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63343968
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 63340073) is 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is CCCC(CN)N1CCN(C(C)C(=O)NC(=O)NC)CC1.
What is the InChIKey of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is RWRCQKGWLXYVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O2/c1-4-5-12(10-15)19-8-6-18(7-9-19)11(2)13(20)17-14(21)16-3/h11-12H,4-10,15H2,1-3H3,(H2,16,17,20,21).
What are the key properties of 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 299.42 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63340073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).