N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide

C14H27N3O2 — CID 54872159

IUPACN-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)C(N)CC(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-13(18)16-11-5-7-17(8-6-11)14(19)12(15)9-10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyKFADXYMWMKACAJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds5

About N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide

N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide (PubChem CID 54872159) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
PubChem CID54872159
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)C(N)CC(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-13(18)16-11-5-7-17(8-6-11)14(19)12(15)9-10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyKFADXYMWMKACAJ-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
N-[1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-3-yl]acetamide
CID 113402254
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid
CID 103497770
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
CID 65227339
N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
CID 54996241
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119798033
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide (CID 54872159) is N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)C(N)CC(C)C)CC1.
What is the InChIKey of N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide?
The InChIKey is KFADXYMWMKACAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-13(18)16-11-5-7-17(8-6-11)14(19)12(15)9-10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide?
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 54872159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).