3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide

C13H26N4O3 — CID 115738482

IUPAC3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H26N4O3/c1-20-9-6-16-12(18)2-5-15-13(19)10-17-7-3-11(14)4-8-17/h11H,2-10,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyFWHXGHCSEGFFLV-UHFFFAOYSA-N
MW286.38 g/mol
LogP-1.32
Rot. Bonds8

About 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide

3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 115738482) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID115738482
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H26N4O3/c1-20-9-6-16-12(18)2-5-15-13(19)10-17-7-3-11(14)4-8-17/h11H,2-10,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyFWHXGHCSEGFFLV-UHFFFAOYSA-N
XLogP-1.32
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608279
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 112701684
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51072787
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide (CID 115738482) is 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC(=O)CN1CCC(N)CC1.
What is the InChIKey of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is FWHXGHCSEGFFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-20-9-6-16-12(18)2-5-15-13(19)10-17-7-3-11(14)4-8-17/h11H,2-10,14H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide?
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 286.38 g/mol, XLogP of -1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115738482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).