N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide

C16H20N4O2 — CID 4625538

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H20N4O2/c21-14(8-11-20-9-4-1-5-10-20)18-19-15-12-6-2-3-7-13(12)17-16(15)22/h2-3,6-7,17,22H,1,4-5,8-11H2/b19-18+
InChIKeyXIKNWFBGGMUHCM-VHEBQXMUSA-N
MW300.36 g/mol
LogP3.36
Rot. Bonds4

About N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide (PubChem CID 4625538) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide
PubChem CID4625538
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H20N4O2/c21-14(8-11-20-9-4-1-5-10-20)18-19-15-12-6-2-3-7-13(12)17-16(15)22/h2-3,6-7,17,22H,1,4-5,8-11H2/b19-18+
InChIKeyXIKNWFBGGMUHCM-VHEBQXMUSA-N
XLogP3.36
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide (CID 4625538) is N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide?
The InChIKey is XIKNWFBGGMUHCM-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-14(8-11-20-9-4-1-5-10-20)18-19-15-12-6-2-3-7-13(12)17-16(15)22/h2-3,6-7,17,22H,1,4-5,8-11H2/b19-18+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 4625538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).