2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide

C15H30N4O2 — CID 42955537

IUPAC2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide
SMILESCCCCCC(C)NC(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H30N4O2/c1-3-4-5-6-12(2)17-15(21)18-13-7-9-19(10-8-13)11-14(16)20/h12-13H,3-11H2,1-2H3,(H2,16,20)(H2,17,18,21)
InChIKeyOTUNHTQWRIBLLX-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.20
Rot. Bonds8

About 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide

2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide (PubChem CID 42955537) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide
PubChem CID42955537
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide
SMILESCCCCCC(C)NC(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H30N4O2/c1-3-4-5-6-12(2)17-15(21)18-13-7-9-19(10-8-13)11-14(16)20/h12-13H,3-11H2,1-2H3,(H2,16,20)(H2,17,18,21)
InChIKeyOTUNHTQWRIBLLX-UHFFFAOYSA-N
XLogP1.20
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide
CID 95159118
1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385834
1-butan-2-yl-3-cyclopropylurea
CID 45366532
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
2-[4-(pentan-3-ylamino)piperidin-1-yl]acetamide
CID 43746855
1-[3-(heptan-2-ylamino)pyrrolidin-1-yl]ethanone
CID 115893971
2-(cyclohexylcarbamoylamino)undecanamide
CID 69488334
N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058350
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43746779
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
1-(4-aminobutan-2-yl)-3-cyclopropylurea
CID 62698349
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 63680196

Frequently Asked Questions

What is the IUPAC name of 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide (CID 42955537) is 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide is CCCCCC(C)NC(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide?
The InChIKey is OTUNHTQWRIBLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-3-4-5-6-12(2)17-15(21)18-13-7-9-19(10-8-13)11-14(16)20/h12-13H,3-11H2,1-2H3,(H2,16,20)(H2,17,18,21).
What are the key properties of 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide?
2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide has a molecular weight of 298.43 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(heptan-2-ylcarbamoylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 42955537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).