2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine

C11H23N5O — CID 10354343

IUPAC2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine
SMILESNC(N)=NCCC[C@H](N)C(=O)N1CCCCC1
InChIInChI=1S/C11H23N5O/c12-9(5-4-6-15-11(13)14)10(17)16-7-2-1-3-8-16/h9H,1-8,12H2,(H4,13,14,15)/t9-/m0/s1
InChIKeyBJEKZAHKFCREOG-VIFPVBQESA-N
MW241.34 g/mol
LogP-0.62
Rot. Bonds5

About 2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine

2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine (PubChem CID 10354343) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine.

Molecular Properties

Compound Name2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine
PubChem CID10354343
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine
SMILESNC(N)=NCCC[C@H](N)C(=O)N1CCCCC1
InChIInChI=1S/C11H23N5O/c12-9(5-4-6-15-11(13)14)10(17)16-7-2-1-3-8-16/h9H,1-8,12H2,(H4,13,14,15)/t9-/m0/s1
InChIKeyBJEKZAHKFCREOG-VIFPVBQESA-N
XLogP-0.62
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine?
The IUPAC name of 2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine (CID 10354343) is 2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine.
What is the SMILES notation for 2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine?
The canonical SMILES for 2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine is NC(N)=NCCC[C@H](N)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine?
The InChIKey is BJEKZAHKFCREOG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N5O/c12-9(5-4-6-15-11(13)14)10(17)16-7-2-1-3-8-16/h9H,1-8,12H2,(H4,13,14,15)/t9-/m0/s1.
What are the key properties of 2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine?
2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine has a molecular weight of 241.34 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-amino-5-oxo-5-piperidin-1-ylpentyl]guanidine is sourced from PubChem (CID 10354343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).