1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

C22H32N4O2 — CID 5307163

IUPAC1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H32N4O2/c1-17-7-4-5-13-25(17)14-6-12-23-21(27)18-10-15-26(16-11-18)22-24-19-8-2-3-9-20(19)28-22/h2-3,8-9,17-18H,4-7,10-16H2,1H3,(H,23,27)
InChIKeyTXPRAYUMWAWZGV-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.42
Rot. Bonds6

About 1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 5307163) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID5307163
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H32N4O2/c1-17-7-4-5-13-25(17)14-6-12-23-21(27)18-10-15-26(16-11-18)22-24-19-8-2-3-9-20(19)28-22/h2-3,8-9,17-18H,4-7,10-16H2,1H3,(H,23,27)
InChIKeyTXPRAYUMWAWZGV-UHFFFAOYSA-N
XLogP3.42
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (CID 5307163) is 1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is CC1CCCCN1CCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is TXPRAYUMWAWZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-17-7-4-5-13-25(17)14-6-12-23-21(27)18-10-15-26(16-11-18)22-24-19-8-2-3-9-20(19)28-22/h2-3,8-9,17-18H,4-7,10-16H2,1H3,(H,23,27).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 5307163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).