1-amino-N-butan-2-ylpiperidine-4-carboxamide

C10H21N3O — CID 118258535

IUPAC1-amino-N-butan-2-ylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(N)CC1
InChIInChI=1S/C10H21N3O/c1-3-8(2)12-10(14)9-4-6-13(11)7-5-9/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyADSULLBZZDIGBV-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.49
Rot. Bonds3

About 1-amino-N-butan-2-ylpiperidine-4-carboxamide

1-amino-N-butan-2-ylpiperidine-4-carboxamide (PubChem CID 118258535) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-amino-N-butan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-butan-2-ylpiperidine-4-carboxamide
PubChem CID118258535
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-amino-N-butan-2-ylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(N)CC1
InChIInChI=1S/C10H21N3O/c1-3-8(2)12-10(14)9-4-6-13(11)7-5-9/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyADSULLBZZDIGBV-UHFFFAOYSA-N
XLogP0.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-butan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-amino-N-butan-2-ylpiperidine-4-carboxamide (CID 118258535) is 1-amino-N-butan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-amino-N-butan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-amino-N-butan-2-ylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(N)CC1.
What is the InChIKey of 1-amino-N-butan-2-ylpiperidine-4-carboxamide?
The InChIKey is ADSULLBZZDIGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-8(2)12-10(14)9-4-6-13(11)7-5-9/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 1-amino-N-butan-2-ylpiperidine-4-carboxamide?
1-amino-N-butan-2-ylpiperidine-4-carboxamide has a molecular weight of 199.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-butan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 118258535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).