[4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone

C19H30N4O2 — CID 131898169

IUPAC[4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1ccc(NCCCNC2CCN(C(=O)C3CCCO3)CC2)nc1
InChIInChI=1S/C19H30N4O2/c1-15-5-6-18(22-14-15)21-10-3-9-20-16-7-11-23(12-8-16)19(24)17-4-2-13-25-17/h5-6,14,16-17,20H,2-4,7-13H2,1H3,(H,21,22)
InChIKeyXGOIVZDTSFVUFL-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.95
Rot. Bonds7

About [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 131898169) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID131898169
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1ccc(NCCCNC2CCN(C(=O)C3CCCO3)CC2)nc1
InChIInChI=1S/C19H30N4O2/c1-15-5-6-18(22-14-15)21-10-3-9-20-16-7-11-23(12-8-16)19(24)17-4-2-13-25-17/h5-6,14,16-17,20H,2-4,7-13H2,1H3,(H,21,22)
InChIKeyXGOIVZDTSFVUFL-UHFFFAOYSA-N
XLogP1.95
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone 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

[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56778579
6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid
CID 61404521
4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 94091179
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 94797390
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
[4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56712439
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide
CID 131922621
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 131898169) is [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone is Cc1ccc(NCCCNC2CCN(C(=O)C3CCCO3)CC2)nc1.
What is the InChIKey of [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is XGOIVZDTSFVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-5-6-18(22-14-15)21-10-3-9-20-16-7-11-23(12-8-16)19(24)17-4-2-13-25-17/h5-6,14,16-17,20H,2-4,7-13H2,1H3,(H,21,22).
What are the key properties of [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 131898169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).