1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide

C10H21N4O2+ — CID 91041224

IUPAC1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide
SMILESNCCC(N)C(=O)[N+]1(C(N)=O)CCCCC1
InChIInChI=1S/C10H20N4O2/c11-5-4-8(12)9(15)14(10(13)16)6-2-1-3-7-14/h8H,1-7,11-12H2,(H-,13,16)/p+1
InChIKeyWWSYUWYMZVLXPB-UHFFFAOYSA-O
MW229.30 g/mol
LogP-0.73
Rot. Bonds3

About 1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide

1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide (PubChem CID 91041224) has the molecular formula C10H21N4O2+ and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide
PubChem CID91041224
Molecular FormulaC10H21N4O2+
Molecular Weight229.30 g/mol
Exact Mass229.17
IUPAC Name1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide
SMILESNCCC(N)C(=O)[N+]1(C(N)=O)CCCCC1
InChIInChI=1S/C10H20N4O2/c11-5-4-8(12)9(15)14(10(13)16)6-2-1-3-7-14/h8H,1-7,11-12H2,(H-,13,16)/p+1
InChIKeyWWSYUWYMZVLXPB-UHFFFAOYSA-O
XLogP-0.73
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide?
The IUPAC name of 1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide (CID 91041224) is 1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide.
What is the SMILES notation for 1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide?
The canonical SMILES for 1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide is NCCC(N)C(=O)[N+]1(C(N)=O)CCCCC1.
What is the InChIKey of 1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide?
The InChIKey is WWSYUWYMZVLXPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N4O2/c11-5-4-8(12)9(15)14(10(13)16)6-2-1-3-7-14/h8H,1-7,11-12H2,(H-,13,16)/p+1.
What are the key properties of 1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide?
1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide has a molecular weight of 229.30 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diaminobutanoyl)piperidin-1-ium-1-carboxamide is sourced from PubChem (CID 91041224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).