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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Related Compounds

CID 71458
CID 71458
CID 647818
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CID 6420159
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CID 243391
CID 243391
CID 5762132
CID 5762132
CID 590605
CID 590605
CID 9794818
CID 9794818
CID 11247716
CID 11247716
CID 11294227
CID 11294227
CID 11305296
CID 11305296
CID 11316876
CID 11316876
CID 11396148
CID 11396148

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).