3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide

C12H23N3O — CID 115035177

IUPAC3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)CCC2(N)CC2)CC1
InChIInChI=1S/C12H23N3O/c1-15-8-3-10(4-9-15)14-11(16)2-5-12(13)6-7-12/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyVUUYKEXZLAFZHL-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.47
Rot. Bonds4

About 3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide

3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 115035177) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID115035177
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)CCC2(N)CC2)CC1
InChIInChI=1S/C12H23N3O/c1-15-8-3-10(4-9-15)14-11(16)2-5-12(13)6-7-12/h10H,2-9,13H2,1H3,(H,14,16)
InChIKeyVUUYKEXZLAFZHL-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
N-(1-methylpiperidin-4-yl)-3-propan-2-yloxypropanamide
CID 142467334
2-[1-(methylamino)cyclohexyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 65240925
bis[5-[(1-methylpiperidin-4-yl)amino]-5-oxopentyl] oxalate
CID 57039386
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
CID 61328994
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
2-(2-aminocyclohexyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 62781851
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
N-(1-methylpiperidin-4-yl)-3-piperidin-4-yloxypropanamide
CID 55251133
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide (CID 115035177) is 3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)CCC2(N)CC2)CC1.
What is the InChIKey of 3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is VUUYKEXZLAFZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-15-8-3-10(4-9-15)14-11(16)2-5-12(13)6-7-12/h10H,2-9,13H2,1H3,(H,14,16).
What are the key properties of 3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide?
3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 225.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 115035177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).