N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide

C15H29N3O2 — CID 60947434

IUPACN-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C15H29N3O2/c1-12(2)15(20)17-13-7-10-18(11-8-13)14(19)6-4-3-5-9-16/h12-13H,3-11,16H2,1-2H3,(H,17,20)
InChIKeyFCYXCRLOHONZRE-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.27
Rot. Bonds7

About N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide

N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 60947434) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID60947434
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C15H29N3O2/c1-12(2)15(20)17-13-7-10-18(11-8-13)14(19)6-4-3-5-9-16/h12-13H,3-11,16H2,1-2H3,(H,17,20)
InChIKeyFCYXCRLOHONZRE-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 82011596
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
CID 54870016
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 79473160
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119304295
8-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]nonane-1,7-dione
CID 170583680
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 54872286
6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 164715646
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108558499

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide (CID 60947434) is N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)CCCCCN)CC1.
What is the InChIKey of N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is FCYXCRLOHONZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)15(20)17-13-7-10-18(11-8-13)14(19)6-4-3-5-9-16/h12-13H,3-11,16H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 283.42 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 60947434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).