(NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine

C15H20N4O — CID 114509483

IUPAC(NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(Cc2cn3ccccc3n2)CC/C1=N\O
InChIInChI=1S/C15H20N4O/c1-2-12-9-18(8-6-14(12)17-20)10-13-11-19-7-4-3-5-15(19)16-13/h3-5,7,11-12,20H,2,6,8-10H2,1H3/b17-14+
InChIKeyZBZNMFKFAXVQDQ-SAPNQHFASA-N
MW272.35 g/mol
LogP2.40
Rot. Bonds3

About (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine

(NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 114509483) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID114509483
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(Cc2cn3ccccc3n2)CC/C1=N\O
InChIInChI=1S/C15H20N4O/c1-2-12-9-18(8-6-14(12)17-20)10-13-11-19-7-4-3-5-15(19)16-13/h3-5,7,11-12,20H,2,6,8-10H2,1H3/b17-14+
InChIKeyZBZNMFKFAXVQDQ-SAPNQHFASA-N
XLogP2.40
TPSA53.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine 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

1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-[(3-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64833998
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 80677191
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305
2-[(3-butan-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64831720
2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 94920556
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpiperidin-3-yl]methanamine
CID 114959821
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721961
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60820487

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine (CID 114509483) is (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine is CCC1CN(Cc2cn3ccccc3n2)CC/C1=N\O.
What is the InChIKey of (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is ZBZNMFKFAXVQDQ-SAPNQHFASA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-12-9-18(8-6-14(12)17-20)10-13-11-19-7-4-3-5-15(19)16-13/h3-5,7,11-12,20H,2,6,8-10H2,1H3/b17-14+.
What are the key properties of (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine?
(NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 272.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 114509483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).