N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide

C13H25N3O2 — CID 65227339

IUPACN-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)C(CC)CN)CC1
InChIInChI=1S/C13H25N3O2/c1-3-10(9-14)13(18)16-7-5-11(6-8-16)15-12(17)4-2/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyRXEKJOQANVOIME-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide

N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide (PubChem CID 65227339) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
PubChem CID65227339
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)C(CC)CN)CC1
InChIInChI=1S/C13H25N3O2/c1-3-10(9-14)13(18)16-7-5-11(6-8-16)15-12(17)4-2/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyRXEKJOQANVOIME-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
CID 54872159
2-(aminomethyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butan-1-one
CID 65229983
2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid
CID 103497770
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536839
2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 107217153
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
2-chloroethyl N-[1-(2-ethylbutanoyl)piperidin-4-yl]carbamate
CID 108566162
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide (CID 65227339) is N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)C(CC)CN)CC1.
What is the InChIKey of N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide?
The InChIKey is RXEKJOQANVOIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-10(9-14)13(18)16-7-5-11(6-8-16)15-12(17)4-2/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide?
N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 65227339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).